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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyrrolidines > (3r,3as,7r,7as)-3-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > (3r,3as,7r,7as)-3-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > (3r,3as,7r,7as)-3-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > (3r,3as,7r,7as)-3-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > (3r,3as,7r,7as)-3-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one

Preferred term

(3r,3as,7r,7as)-3-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one  

Type

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

Broader concept

charge

  • 0

formula

  • C31H29NO2S

inchi

  • InChI=1S/C31H29NO2S/c1-20-9-8-13-24-29(20)31(33)32(19-21-10-4-3-5-11-21)30(24)25-17-23(15-16-26(25)34-2)28-18-22-12-6-7-14-27(22)35-28/h3-8,10-18,20,24,29-30H,9,19H2,1-2H3/t20-,24+,29+,30-/m1/s1

inchikey

  • OAFLRAUVICLSCY-MJQKZAJVSA-N

mass

  • 479.635

monoisotopicmass

  • 479.19190

smiles

  • C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N([C@H]2C3=C(C=CC(=C3)C4=CC5=CC=CC=C5S4)OC)CC6=CC=CC=C6

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121661

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