1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]pyrrolidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-5-oxo-N-[2-(phenylmethylthio)ethyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-[2-(benzylthio)ethyl]-5-keto-pyrrolidine-3-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O4S/c24-20-10-16(12-23(20)17-6-7-18-19(11-17)27-14-26-18)21(25)22-8-9-28-13-15-4-2-1-3-5-15/h1-7,11,16H,8-10,12-14H2,(H,22,25)