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

Systemtic Name: 3-[4-[[6-methoxy-2-(2-methylcyclohexyl)-1-benzothiophen-3-yl]carbonyl]phenyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[4-[6-methoxy-2-(2-methylcyclohexyl)benzothiophene-3-carbonyl]phenyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[4-[[6-methoxy-2-(2-methylcyclohexyl)-1-benzothiophen-3-yl]-oxomethyl]phenyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[4-[6-methoxy-2-(2-methylcyclohexyl)-1-benzothiophene-3-carbonyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[4-[6-methoxy-2-(2-methylcyclohexyl)benzothiophene-3-carbonyl]phenyl]-1-pyrrolidino-propan-1-one Formula: C30H35NO3S MolecularWeight: 489.6688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO3S/c1-20-7-3-4-8-24(20)30-28(25-15-14-23(34-2)19-26(25)35-30)29(33)22-12-9-21(10-13-22)11-16-27(32)31-17-5-6-18-31/h9-10,12-15,19-20,24H,3-8,11,16-18H2,1-2H3