methyl 2-[[3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxidanylidene-propanoyl]amino]benzoate

Systemtic Name: methyl 2-[[3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxidanylidene-propanoyl]amino]benzoate Openeye Name: methyl 2-[[3-cyano-3-[4-(4-nitrophenyl)thiazol-2-yl]-2-oxo-propanoyl]amino]benzoate CAS Name: 2-[[3-cyano-3-[4-(4-nitrophenyl)-2-thiazolyl]-1,2-dioxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropanoyl]amino]benzoate Traditional Name: 2-[[3-cyano-2-keto-3-[4-(4-nitrophenyl)thiazol-2-yl]propanoyl]amino]benzoic acid methyl ester Formula: C21H14N4O6S MolecularWeight: 450.42406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O6S/c1-31-21(28)14-4-2-3-5-16(14)23-19(27)18(26)15(10-22)20-24-17(11-32-20)12-6-8-13(9-7-12)25(29)30/h2-9,11,15H,1H3,(H,23,27)