[8-chloranyl-1-cyclopropyl-6-fluoranyl-7-(4-methyl-2-thiophen-3-yl-piperazin-1-yl)-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [8-chloranyl-1-cyclopropyl-6-fluoranyl-7-(4-methyl-2-thiophen-3-yl-piperazin-1-yl)-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate Openeye Name: [8-chloro-1-cyclopropyl-6-fluoro-7-[4-methyl-2-(3-thienyl)piperazin-1-yl]-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [8-chloro-1-cyclopropyl-6-fluoro-7-[4-methyl-2-(3-thiophenyl)-1-piperazinyl]-4-oxo-3-quinolinyl] ester IUPAC Name: [8-chloro-1-cyclopropyl-6-fluoro-7-(4-methyl-2-thiophen-3-ylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-[4-methyl-2-(3-thienyl)piperazino]-3-quinolyl] ester Formula: C22H21ClFN3O4S MolecularWeight: 477.936243

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CSC=C2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)OC(=O)O)C5CC5)F

Isomeric SMILES

CN1CCN(C(C1)C2=CSC=C2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)OC(=O)O)C5CC5)F

InChI

InChI=1S/C22H21ClFN3O4S/c1-25-5-6-26(16(9-25)12-4-7-32-11-12)20-15(24)8-14-19(18(20)23)27(13-2-3-13)10-17(21(14)28)31-22(29)30/h4,7-8,10-11,13,16H,2-3,5-6,9H2,1H3,(H,29,30)