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

Systemtic Name: [1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-5-methylsulfanyl-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate Openeye Name: [1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-5-methylsulfanyl-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [1-cyclopropyl-6,8-difluoro-7-(4-methyl-1-piperazinyl)-5-(methylthio)-4-oxo-3-quinolinyl] ester IUPAC Name: [1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-5-methylsulfanyl-4-oxoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-cyclopropyl-6,8-difluoro-4-keto-7-(4-methylpiperazino)-5-(methylthio)-3-quinolyl] ester Formula: C19H21F2N3O4S MolecularWeight: 425.449546

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C(=C2F)SC)C(=O)C(=CN3C4CC4)OC(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C(=C2F)SC)C(=O)C(=CN3C4CC4)OC(=O)O)F

InChI

InChI=1S/C19H21F2N3O4S/c1-22-5-7-23(8-6-22)16-13(20)15-12(18(29-2)14(16)21)17(25)11(28-19(26)27)9-24(15)10-3-4-10/h9-10H,3-8H2,1-2H3,(H,26,27)