ethyl 5-cyano-6-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(3-fluoro-4-methoxyphenyl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(3-fluoro-4-methoxy-benzyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C18H17FN2O3S MolecularWeight: 360.402583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=C(C=C2)OC)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=C(C=C2)OC)F)C

InChI

InChI=1S/C18H17FN2O3S/c1-4-24-18(22)14-8-13(9-20)17(21-11(14)2)25-10-12-5-6-16(23-3)15(19)7-12/h5-8H,4,10H2,1-3H3