[2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-keto-2-(2-keto-3,4-dihydro-1H-quinolin-6-yl)ethyl] ester Formula: C18H14F2N2O4S MolecularWeight: 392.376566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(=O)COC(=O)C3=C(N=CC=C3)SC(F)F

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)COC(=O)C3=C(N=CC=C3)SC(F)F

InChI

InChI=1S/C18H14F2N2O4S/c19-18(20)27-16-12(2-1-7-21-16)17(25)26-9-14(23)11-3-5-13-10(8-11)4-6-15(24)22-13/h1-3,5,7-8,18H,4,6,9H2,(H,22,24)