[2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C20H18N6O6S MolecularWeight: 470.45852

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O6S/c1-21-19(29)23-17(27)16(12-6-4-3-5-7-12)32-18(28)13-8-9-15(14(10-13)26(30)31)33-20-24-22-11-25(20)2/h3-11,16H,1-2H3,(H2,21,23,27,29)