N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC)OCO2

InChI

InChI=1S/C21H20N2O5S/c1-12(24)16-8-18-19(28-11-27-18)9-17(16)22-21(26)13-6-20(25)23(10-13)14-4-3-5-15(7-14)29-2/h3-5,7-9,13H,6,10-11H2,1-2H3,(H,22,26)