ethyl 5-cyano-6-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[[2-(4-fluorophenyl)oxazol-4-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(4-fluorophenyl)-4-oxazolyl]methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(4-fluorophenyl)oxazol-4-yl]methylthio]-2-methyl-nicotinic acid ethyl ester Formula: C20H16FN3O3S MolecularWeight: 397.422743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=COC(=N2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=COC(=N2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H16FN3O3S/c1-3-26-20(25)17-8-14(9-22)19(23-12(17)2)28-11-16-10-27-18(24-16)13-4-6-15(21)7-5-13/h4-8,10H,3,11H2,1-2H3