[2,4-bis(fluoranyl)phenyl] 8-chloranyl-7-ethanoyl-1-ethyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: [2,4-bis(fluoranyl)phenyl] 8-chloranyl-7-ethanoyl-1-ethyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: (2,4-difluorophenyl) 7-acetyl-8-chloro-1-ethyl-6-fluoro-2-methylsulfanyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-acetyl-8-chloro-1-ethyl-6-fluoro-2-(methylthio)-4-oxo-3-quinolinecarboxylic acid (2,4-difluorophenyl) ester IUPAC Name: (2,4-difluorophenyl) 7-acetyl-8-chloro-1-ethyl-6-fluoro-2-methylsulfanyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-acetyl-8-chloro-1-ethyl-6-fluoro-4-keto-2-(methylthio)quinoline-3-carboxylic acid (2,4-difluorophenyl) ester Formula: C21H15ClF3NO4S MolecularWeight: 469.86131

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2C(=O)C(=C1SC)C(=O)OC3=C(C=C(C=C3)F)F)F)C(=O)C)Cl

Isomeric SMILES

CCN1C2=C(C(=C(C=C2C(=O)C(=C1SC)C(=O)OC3=C(C=C(C=C3)F)F)F)C(=O)C)Cl

InChI

InChI=1S/C21H15ClF3NO4S/c1-4-26-18-11(8-13(25)15(9(2)27)17(18)22)19(28)16(20(26)31-3)21(29)30-14-6-5-10(23)7-12(14)24/h5-8H,4H2,1-3H3