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

Systemtic Name: 3-[4-[(2-cyclohexyl-6-oxidanyl-1-benzothiophen-3-yl)carbonyl]phenyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[4-(2-cyclohexyl-6-hydroxy-benzothiophene-3-carbonyl)phenyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[4-[(2-cyclohexyl-6-hydroxy-1-benzothiophen-3-yl)-oxomethyl]phenyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[4-(2-cyclohexyl-6-hydroxy-1-benzothiophene-3-carbonyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[4-(2-cyclohexyl-6-hydroxy-benzothiophene-3-carbonyl)phenyl]-1-pyrrolidino-propan-1-one Formula: C28H31NO3S MolecularWeight: 461.61564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)CCC(=O)N5CCCC5

Isomeric SMILES

C1CCC(CC1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)CCC(=O)N5CCCC5

InChI

InChI=1S/C28H31NO3S/c30-22-13-14-23-24(18-22)33-28(21-6-2-1-3-7-21)26(23)27(32)20-11-8-19(9-12-20)10-15-25(31)29-16-4-5-17-29/h8-9,11-14,18,21,30H,1-7,10,15-17H2