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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H17F2N3O4S MolecularWeight: 361.364286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F2N3O4S/c1-14(2,3)19-13(22)18-9(20)7-23-11(21)8-5-4-6-17-10(8)24-12(15)16/h4-6,12H,7H2,1-3H3,(H2,18,19,20,22)