[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(4-methoxycarbonylanilino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-(4-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(4-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C17H14F2N2O5S MolecularWeight: 396.365266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC(F)F

InChI

InChI=1S/C17H14F2N2O5S/c1-25-15(23)10-4-6-11(7-5-10)21-13(22)9-26-16(24)12-3-2-8-20-14(12)27-17(18)19/h2-8,17H,9H2,1H3,(H,21,22)