methyl 6-[2,2-bis(fluoranyl)ethylsulfanyl]-5-cyano-2-(dimethoxymethyl)pyridine-3-carboxylate

Systemtic Name: methyl 6-[2,2-bis(fluoranyl)ethylsulfanyl]-5-cyano-2-(dimethoxymethyl)pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-(2,2-difluoroethylsulfanyl)-2-(dimethoxymethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-(2,2-difluoroethylthio)-2-(dimethoxymethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-(2,2-difluoroethylsulfanyl)-2-(dimethoxymethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-(2,2-difluoroethylthio)-2-(dimethoxymethyl)nicotinic acid methyl ester Formula: C13H14F2N2O4S MolecularWeight: 332.323066

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C=C(C(=N1)SCC(F)F)C#N)C(=O)OC)OC

Isomeric SMILES

COC(C1=C(C=C(C(=N1)SCC(F)F)C#N)C(=O)OC)OC

InChI

InChI=1S/C13H14F2N2O4S/c1-19-12(18)8-4-7(5-16)11(22-6-9(14)15)17-10(8)13(20-2)21-3/h4,9,13H,6H2,1-3H3