[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C13H16F2N2O3S MolecularWeight: 318.339546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=C(N=CC=C1)SC(F)F

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=C(N=CC=C1)SC(F)F

InChI

InChI=1S/C13H16F2N2O3S/c1-8(2)6-17-10(18)7-20-12(19)9-4-3-5-16-11(9)21-13(14)15/h3-5,8,13H,6-7H2,1-2H3,(H,17,18)