[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H14N4O4S MolecularWeight: 358.37176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CSC(=N2)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CSC(=N2)NC(=O)C

InChI

InChI=1S/C16H14N4O4S/c1-9(14(22)19-12-6-4-3-5-11(12)7-17)24-15(23)13-8-25-16(20-13)18-10(2)21/h3-6,8-9H,1-2H3,(H,19,22)(H,18,20,21)