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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3S/c1-16-24-20(17-9-4-2-5-10-17)21(29-16)22(27)28-15-19(26)25(14-8-13-23)18-11-6-3-7-12-18/h2-7,9-12H,8,14-15H2,1H3