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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C12H13F2N3O4S MolecularWeight: 333.311126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2N3O4S/c1-2-15-12(20)17-8(18)6-21-10(19)7-4-3-5-16-9(7)22-11(13)14/h3-5,11H,2,6H2,1H3,(H2,15,17,18,20)