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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 > [(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-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 > [(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-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 > [(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-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 > [(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-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 > [(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-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 > [(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-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 > [(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2h-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone

Preferred term

[(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-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

  • C30H36N2O4S

inchi

  • InChI=1S/C30H36N2O4S/c1-2-35-30-24(12-8-18-33)25(26-21-37-28-13-7-6-11-23(26)28)19-27(36-30)29(34)32-16-14-31(15-17-32)20-22-9-4-3-5-10-22/h3-7,9-11,13,19,21,24-25,30,33H,2,8,12,14-18,20H2,1H3/t24-,25+,30-/m1/s1

inchikey

  • RHQPDZCTKOVIKR-UNHDOIQYSA-N

mass

  • 520.685

monoisotopicmass

  • 520.23958

smiles

  • CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CSC5=CC=CC=C54)CCCO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:106070

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