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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [2-[4-(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)NC2=CC=C(C=C2)CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C3=CC=CC=C3

InChI

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