[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(3-thienyl)thiazole-4-carboxylate CAS Name: 2-(3-thiophenyl)-4-thiazolecarboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-thienyl)thiazole-4-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H14ClN3O3S2 MolecularWeight: 431.91576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)COC(=O)C2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)COC(=O)C2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C19H14ClN3O3S2/c20-14-3-1-4-15(9-14)23(7-2-6-21)17(24)10-26-19(25)16-12-28-18(22-16)13-5-8-27-11-13/h1,3-5,8-9,11-12H,2,7,10H2