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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(3-chlorophenyl)thiazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-4-thiazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)thiazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H12ClN3O3S MolecularWeight: 349.79208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NC(=CS2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NC(=CS2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C15H12ClN3O3S/c16-11-4-1-3-10(7-11)14-19-12(9-23-14)15(21)22-8-13(20)18-6-2-5-17/h1,3-4,7,9H,2,6,8H2,(H,18,20)