1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(diphenylmethyl)sulfanyl-ethanone

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(diphenylmethyl)sulfanyl-ethanone Openeye Name: 2-benzhydrylsulfanyl-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-[(diphenylmethyl)thio]ethanone IUPAC Name: 2-benzhydrylsulfanyl-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(benzhydrylthio)-1-[2-(3,4-dimethoxyphenyl)pyrrolidino]ethanone Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H29NO3S/c1-30-24-16-15-22(18-25(24)31-2)23-14-9-17-28(23)26(29)19-32-27(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,15-16,18,23,27H,9,14,17,19H2,1-2H3