[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C16H14N4O4S/c1-11(21)18-16-19-13(10-25-16)15(23)24-9-14(22)20(8-7-17)12-5-3-2-4-6-12/h2-6,10H,8-9H2,1H3,(H,18,19,21)