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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(5-methyl-2-phenyl-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(5-methyl-2-phenyl-4-oxazolyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(5-methyl-2-phenyl-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=C(OC(=N2)C3=CC=CC=C3)C)C

Isomeric SMILES

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

InChI

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