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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H15F2N3O4S MolecularWeight: 347.337706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2N3O4S/c1-7(2)17-13(21)18-9(19)6-22-11(20)8-4-3-5-16-10(8)23-12(14)15/h3-5,7,12H,6H2,1-2H3,(H2,17,18,19,21)