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

Systemtic Name: methyl 4-azanyl-2-[bis(fluoranyl)methyl]-5-ethylsulfanylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: methyl 4-amino-2-(difluoromethyl)-5-ethylsulfanylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 4-amino-2-(difluoromethyl)-5-[(ethylthio)-oxomethyl]-6-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-2-(difluoromethyl)-5-ethylsulfanylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 4-amino-2-(difluoromethyl)-5-(ethylthio)carbonyl-6-(trifluoromethyl)nicotinic acid methyl ester Formula: C12H11F5N2O3S MolecularWeight: 358.284356

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=C(N=C(C(=C1N)C(=O)OC)C(F)F)C(F)(F)F

Isomeric SMILES

CCSC(=O)C1=C(N=C(C(=C1N)C(=O)OC)C(F)F)C(F)(F)F

InChI

InChI=1S/C12H11F5N2O3S/c1-3-23-11(21)5-6(18)4(10(20)22-2)7(9(13)14)19-8(5)12(15,16)17/h9H,3H2,1-2H3,(H2,18,19)