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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-methyl-2-(2-pyridyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(2-pyridinyl)-5-thiazolecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-pyridyl)thiazole-5-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H16N4O3S MolecularWeight: 392.43104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H16N4O3S/c1-13-18(28-19(23-13)16-4-2-3-11-22-16)20(26)27-12-17(25)24-15-7-5-14(6-8-15)9-10-21/h2-8,11H,9,12H2,1H3,(H,24,25)