methyl 6,7-bis(fluoranyl)-2-(2-fluoranylethylsulfanyl)-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 6,7-bis(fluoranyl)-2-(2-fluoranylethylsulfanyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 6,7-difluoro-2-(2-fluoroethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6,7-difluoro-2-(2-fluoroethylthio)-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6,7-difluoro-2-(2-fluoroethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6,7-difluoro-2-(2-fluoroethylthio)-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C13H10F3NO3S MolecularWeight: 317.28361

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)F)SCCF

Isomeric SMILES

COC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)F)SCCF

InChI

InChI=1S/C13H10F3NO3S/c1-20-13(19)10-11(18)6-4-7(15)8(16)5-9(6)17-12(10)21-3-2-14/h4-5H,2-3H2,1H3,(H,17,18)