[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=CS2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=CS2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H16N4O3S/c17-7-4-8-18-14(21)10-23-15(22)13-11-24-16(20-13)19-9-12-5-2-1-3-6-12/h1-3,5-6,11H,4,8-10H2,(H,18,21)(H,19,20)