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

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-methyl-2-(3-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(3-thiophenyl)-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-thiophen-3-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(3-thienyl)thiazole-5-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H16ClN3O3S2 MolecularWeight: 445.94234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O3S2/c1-13-18(29-19(23-13)14-6-9-28-12-14)20(26)27-11-17(25)24(8-3-7-22)16-5-2-4-15(21)10-16/h2,4-6,9-10,12H,3,8,11H2,1H3