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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 5-keto-1-[4-(methylthio)phenyl]-N-veratryl-pyrrolidine-3-carboxamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-26-18-9-4-14(10-19(18)27-2)12-22-21(25)15-11-20(24)23(13-15)16-5-7-17(28-3)8-6-16/h4-10,15H,11-13H2,1-3H3,(H,22,25)