ethyl 6,8-bis(fluoranyl)-4-oxidanylidene-7-(4-oxidanylpiperidin-1-yl)-1-(4-phenylsulfanylbutan-2-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 6,8-bis(fluoranyl)-4-oxidanylidene-7-(4-oxidanylpiperidin-1-yl)-1-(4-phenylsulfanylbutan-2-yl)quinoline-3-carboxylate Openeye Name: ethyl 6,8-difluoro-7-(4-hydroxy-1-piperidyl)-1-(1-methyl-3-phenylsulfanyl-propyl)-4-oxo-quinoline-3-carboxylate CAS Name: 6,8-difluoro-7-(4-hydroxy-1-piperidinyl)-4-oxo-1-[4-(phenylthio)butan-2-yl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,8-difluoro-7-(4-hydroxypiperidin-1-yl)-4-oxo-1-(4-phenylsulfanylbutan-2-yl)quinoline-3-carboxylate Traditional Name: 6,8-difluoro-7-(4-hydroxypiperidino)-4-keto-1-[1-methyl-3-(phenylthio)propyl]quinoline-3-carboxylic acid ethyl ester Formula: C27H30F2N2O4S MolecularWeight: 516.599906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCC(CC3)O)F)C(C)CCSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCC(CC3)O)F)C(C)CCSC4=CC=CC=C4

InChI

InChI=1S/C27H30F2N2O4S/c1-3-35-27(34)21-16-31(17(2)11-14-36-19-7-5-4-6-8-19)24-20(26(21)33)15-22(28)25(23(24)29)30-12-9-18(32)10-13-30/h4-8,15-18,32H,3,9-14H2,1-2H3