[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate CAS Name: 4-oxo-4-[4-(phenylthio)anilino]butanoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate Traditional Name: 4-keto-4-[4-(phenylthio)anilino]butyric acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C24H20N2O6S MolecularWeight: 464.4904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O6S/c27-22(17-6-10-19(11-7-17)26(30)31)16-32-24(29)15-14-23(28)25-18-8-12-21(13-9-18)33-20-4-2-1-3-5-20/h1-13H,14-16H2,(H,25,28)