[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-oxo-4-[4-(p-tolylsulfanyl)anilino]butanoate CAS Name: 4-[4-[(4-methylphenyl)thio]anilino]-4-oxobutanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(p-tolylthio)anilino]butyric acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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