[1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-5-phenylsulfanyl-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-5-phenylsulfanyl-quinolin-3-yl] hydrogen carbonate Openeye Name: [1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-5-phenylsulfanyl-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [1-cyclopropyl-6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-5-(phenylthio)-3-quinolinyl] ester IUPAC Name: [1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-5-phenylsulfanylquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-cyclopropyl-6,8-difluoro-4-keto-7-(4-methylpiperazino)-5-(phenylthio)-3-quinolyl] ester Formula: C24H23F2N3O4S MolecularWeight: 487.518926

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C(=C2F)SC4=CC=CC=C4)C(=O)C(=CN3C5CC5)OC(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C(=C2F)SC4=CC=CC=C4)C(=O)C(=CN3C5CC5)OC(=O)O)F

InChI

InChI=1S/C24H23F2N3O4S/c1-27-9-11-28(12-10-27)21-18(25)20-17(23(19(21)26)34-15-5-3-2-4-6-15)22(30)16(33-24(31)32)13-29(20)14-7-8-14/h2-6,13-14H,7-12H2,1H3,(H,31,32)