[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2,4-dimethylthiazole-5-carboxylate CAS Name: 2,4-dimethyl-5-thiazolecarboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2,4-dimethylthiazole-5-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C17H16FN3O3S MolecularWeight: 361.390643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F

InChI

InChI=1S/C17H16FN3O3S/c1-11-16(25-12(2)20-11)17(23)24-10-15(22)21(9-5-8-19)14-7-4-3-6-13(14)18/h3-4,6-7H,5,9-10H2,1-2H3