[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-oxo-4-[(4-phenylthiazol-2-yl)amino]butanoate CAS Name: 4-oxo-4-[(4-phenyl-2-thiazolyl)amino]butanoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate Traditional Name: 4-keto-4-[(4-phenylthiazol-2-yl)amino]butyric acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6S/c25-18(15-6-8-16(9-7-15)24(28)29)12-30-20(27)11-10-19(26)23-21-22-17(13-31-21)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,22,23,26)