ethyl 5-cyano-2-methyl-6-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[[2-(4-methylanilino)thiazol-4-yl]methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(4-methylanilino)-4-thiazolyl]methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[[2-(p-toluidino)thiazol-4-yl]methylthio]nicotinic acid ethyl ester Formula: C21H20N4O2S2 MolecularWeight: 424.5391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CSC(=N2)NC3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CSC(=N2)NC3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H20N4O2S2/c1-4-27-20(26)18-9-15(10-22)19(23-14(18)3)28-11-17-12-29-21(25-17)24-16-7-5-13(2)6-8-16/h5-9,12H,4,11H2,1-3H3,(H,24,25)