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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > benzothiophenes > 1-benzothiophenes > [(2s,4s)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2h-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > benzothiophenes > 1-benzothiophenes > [(2s,4s)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2h-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > benzothiophenes > 1-benzothiophenes > [(2s,4s)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2h-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > benzothiophenes > 1-benzothiophenes > [(2s,4s)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2h-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiophenes > 1-benzothiophenes > [(2s,4s)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2h-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiophenes > 1-benzothiophenes > [(2s,4s)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2h-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiophenes > 1-benzothiophenes > [(2s,4s)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2h-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone

Preferred term

[(2s,4s)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2h-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C33H34N2O4S

inchi

  • InChI=1S/C33H34N2O4S/c36-21-25-10-12-26(13-11-25)22-38-32-19-27(29-23-40-31-9-5-4-8-28(29)31)18-30(39-32)33(37)35-16-14-34(15-17-35)20-24-6-2-1-3-7-24/h1-13,18,23,27,32,36H,14-17,19-22H2/t27-,32+/m1/s1

inchikey

  • PTTHOVHGPPERMY-ZUKKLESISA-N

mass

  • 554.701

monoisotopicmass

  • 554.22393

smiles

  • C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@H](C[C@H](O3)OCC4=CC=C(C=C4)CO)C5=CSC6=CC=CC=C65

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107331

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