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

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H19F2N3O4S MolecularWeight: 387.401566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=C(N=CC=C2)SC(F)F

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=C(N=CC=C2)SC(F)F

InChI

InChI=1S/C16H19F2N3O4S/c17-15(18)26-13-11(7-4-8-19-13)14(23)25-9-12(22)21-16(24)20-10-5-2-1-3-6-10/h4,7-8,10,15H,1-3,5-6,9H2,(H2,20,21,22,24)