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

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H13F2N3O4S MolecularWeight: 345.321826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)COC(=O)C2=C(N=CC=C2)SC(F)F

Isomeric SMILES

C1CC1NC(=O)NC(=O)COC(=O)C2=C(N=CC=C2)SC(F)F

InChI

InChI=1S/C13H13F2N3O4S/c14-12(15)23-10-8(2-1-5-16-10)11(20)22-6-9(19)18-13(21)17-7-3-4-7/h1-2,5,7,12H,3-4,6H2,(H2,17,18,19,21)