N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C21H22N2O4S/c1-13(14-6-7-18-19(8-14)27-12-26-18)22-21(25)15-9-20(24)23(11-15)16-4-3-5-17(10-16)28-2/h3-8,10,13,15H,9,11-12H2,1-2H3,(H,22,25)