[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H14F2N2O3S MolecularWeight: 316.323666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(N=CC=C2)SC(F)F

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=C(N=CC=C2)SC(F)F

InChI

InChI=1S/C13H14F2N2O3S/c1-7(10(18)17-8-4-5-8)20-12(19)9-3-2-6-16-11(9)21-13(14)15/h2-3,6-8,13H,4-5H2,1H3,(H,17,18)