(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-N-homoveratryl-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)[C@@H]2CC(=O)N(C2)C3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-19-8-7-15(11-20(19)28-2)9-10-23-22(26)16-12-21(25)24(14-16)17-5-4-6-18(13-17)29-3/h4-8,11,13,16H,9-10,12,14H2,1-3H3,(H,23,26)/t16-/m1/s1