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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3CCCCC3)C(=O)C4=CC=C(C=C4)CCC(=O)N5CCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3CCCCC3)C(=O)C4=CC=C(C=C4)CCC(=O)N5CCCC5

InChI

InChI=1S/C29H33NO3S/c1-33-23-14-15-24-25(19-23)34-29(22-7-3-2-4-8-22)27(24)28(32)21-12-9-20(10-13-21)11-16-26(31)30-17-5-6-18-30/h9-10,12-15,19,22H,2-8,11,16-18H2,1H3