ethyl 6,7-bis(fluoranyl)-2-(2-fluoranylethylsulfanyl)-8-methoxy-4-(phenylcarbonyloxy)quinoline-3-carboxylate

Systemtic Name: ethyl 6,7-bis(fluoranyl)-2-(2-fluoranylethylsulfanyl)-8-methoxy-4-(phenylcarbonyloxy)quinoline-3-carboxylate Openeye Name: ethyl 4-benzoyloxy-6,7-difluoro-2-(2-fluoroethylsulfanyl)-8-methoxy-quinoline-3-carboxylate CAS Name: 4-benzoyloxy-6,7-difluoro-2-(2-fluoroethylthio)-8-methoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzoyloxy-6,7-difluoro-2-(2-fluoroethylsulfanyl)-8-methoxyquinoline-3-carboxylate Traditional Name: 4-benzoyloxy-6,7-difluoro-2-(2-fluoroethylthio)-8-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C22H18F3NO5S MolecularWeight: 465.44223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C(=C2N=C1SCCF)OC)F)F)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C(=C2N=C1SCCF)OC)F)F)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18F3NO5S/c1-3-30-22(28)15-18(31-21(27)12-7-5-4-6-8-12)13-11-14(24)16(25)19(29-2)17(13)26-20(15)32-10-9-23/h4-8,11H,3,9-10H2,1-2H3