methyl 4-azanyl-2-[bis(fluoranyl)methyl]-5-methylsulfanylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: methyl 4-azanyl-2-[bis(fluoranyl)methyl]-5-methylsulfanylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: methyl 4-amino-2-(difluoromethyl)-5-methylsulfanylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 4-amino-2-(difluoromethyl)-5-[(methylthio)-oxomethyl]-6-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-2-(difluoromethyl)-5-methylsulfanylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 4-amino-2-(difluoromethyl)-5-(methylthio)carbonyl-6-(trifluoromethyl)nicotinic acid methyl ester Formula: C11H9F5N2O3S MolecularWeight: 344.257776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(N=C1C(F)F)C(F)(F)F)C(=O)SC)N

Isomeric SMILES

COC(=O)C1=C(C(=C(N=C1C(F)F)C(F)(F)F)C(=O)SC)N

InChI

InChI=1S/C11H9F5N2O3S/c1-21-9(19)3-5(17)4(10(20)22-2)7(11(14,15)16)18-6(3)8(12)13/h8H,1-2H3,(H2,17,18)