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

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-methyl-2-phenyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-phenyl-5-thiazolecarboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-phenyl-thiazole-5-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-15-20(30-21(25-15)16-7-3-2-4-8-16)22(28)29-14-19(27)26(12-6-11-24)18-10-5-9-17(23)13-18/h2-5,7-10,13H,6,12,14H2,1H3