[7-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [7-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate Openeye Name: [1-cyclopropyl-7-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-6-fluoro-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [1-cyclopropyl-7-[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinyl] ester IUPAC Name: [1-cyclopropyl-7-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-6-fluoro-4-oxoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-cyclopropyl-7-[4-(1,1-diketothiolan-3-yl)piperazino]-6-fluoro-4-keto-3-quinolyl] ester Formula: C21H24FN3O6S MolecularWeight: 465.495163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5CCS(=O)(=O)C5)F)OC(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5CCS(=O)(=O)C5)F)OC(=O)O

InChI

InChI=1S/C21H24FN3O6S/c22-16-9-15-17(25(13-1-2-13)11-19(20(15)26)31-21(27)28)10-18(16)24-6-4-23(5-7-24)14-3-8-32(29,30)12-14/h9-11,13-14H,1-8,12H2,(H,27,28)