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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-15-23-19(16-8-4-2-5-9-16)20(28-15)21(26)27-14-18(25)24(13-12-22)17-10-6-3-7-11-17/h2-11H,13-14H2,1H3