[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3-chlorophenyl)-4-methyl-5-thiazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H14ClN3O3S/c1-10-14(16(22)23-9-13(21)19-7-3-6-18)24-15(20-10)11-4-2-5-12(17)8-11/h2,4-5,8H,3,7,9H2,1H3,(H,19,21)