3-[4-[[2-(2-methylcyclohexyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[4-[[2-(2-methylcyclohexyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[4-[6-hydroxy-2-(2-methylcyclohexyl)benzothiophene-3-carbonyl]phenyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[4-[[6-hydroxy-2-(2-methylcyclohexyl)-1-benzothiophen-3-yl]-oxomethyl]phenyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[4-[6-hydroxy-2-(2-methylcyclohexyl)-1-benzothiophene-3-carbonyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[4-[6-hydroxy-2-(2-methylcyclohexyl)benzothiophene-3-carbonyl]phenyl]-1-pyrrolidino-propan-1-one Formula: C29H33NO3S MolecularWeight: 475.64222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)CCC(=O)N5CCCC5

Isomeric SMILES

CC1CCCCC1C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)CCC(=O)N5CCCC5

InChI

InChI=1S/C29H33NO3S/c1-19-6-2-3-7-23(19)29-27(24-14-13-22(31)18-25(24)34-29)28(33)21-11-8-20(9-12-21)10-15-26(32)30-16-4-5-17-30/h8-9,11-14,18-19,23,31H,2-7,10,15-17H2,1H3