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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[[2-(p-tolyl)oxazol-4-yl]methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(4-methylphenyl)-4-oxazolyl]methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[[2-(p-tolyl)oxazol-4-yl]methylthio]nicotinic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-4-26-21(25)18-9-16(10-22)20(23-14(18)3)28-12-17-11-27-19(24-17)15-7-5-13(2)6-8-15/h5-9,11H,4,12H2,1-3H3