2-[(3-chlorophenyl)methylsulfanyl]-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(3-chlorophenyl)methylthio]-1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(3-chlorobenzyl)thio]-1-[2-(3,4-dimethoxyphenyl)pyrrolidino]ethanone Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CSCC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CSCC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C21H24ClNO3S/c1-25-19-9-8-16(12-20(19)26-2)18-7-4-10-23(18)21(24)14-27-13-15-5-3-6-17(22)11-15/h3,5-6,8-9,11-12,18H,4,7,10,13-14H2,1-2H3