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

Systemtic Name: [1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(trifluoromethylsulfanylmethyl)piperazin-1-yl]quinolin-3-yl] hydrogen carbonate Openeye Name: [1-cyclopropyl-6-fluoro-4-oxo-7-[4-(trifluoromethylsulfanylmethyl)piperazin-1-yl]-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(trifluoromethylthio)methyl]-1-piperazinyl]-3-quinolinyl] ester IUPAC Name: [1-cyclopropyl-6-fluoro-4-oxo-7-[4-(trifluoromethylsulfanylmethyl)piperazin-1-yl]quinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-cyclopropyl-6-fluoro-4-keto-7-[4-[(trifluoromethylthio)methyl]piperazino]-3-quinolyl] ester Formula: C19H19F4N3O4S MolecularWeight: 461.430473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F4N3O4S/c20-13-7-12-14(26(11-1-2-11)9-16(17(12)27)30-18(28)29)8-15(13)25-5-3-24(4-6-25)10-31-19(21,22)23/h7-9,11H,1-6,10H2,(H,28,29)