[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO6S/c1-29-16-4-2-3-15(9-16)22-10-14(8-20(22)24)21(25)26-11-17(23)13-5-6-18-19(7-13)28-12-27-18/h2-7,9,14H,8,10-12H2,1H3