2-[(4-chlorophenyl)methylsulfanyl]-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(4-chlorophenyl)methylthio]-1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(4-chlorobenzyl)thio]-1-[2-(2,5-dimethoxyphenyl)pyrrolidino]ethanone Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO3S/c1-25-17-9-10-20(26-2)18(12-17)19-4-3-11-23(19)21(24)14-27-13-15-5-7-16(22)8-6-15/h5-10,12,19H,3-4,11,13-14H2,1-2H3