[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C25H22N2O6S/c1-15-4-7-17(8-5-15)27-23(29)12-18(24(27)21-3-2-10-34-21)25(30)31-13-22(28)26-16-6-9-19-20(11-16)33-14-32-19/h2-11,18,24H,12-14H2,1H3,(H,26,28)