6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(thietan-3-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(thietan-3-yl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(thietan-3-yl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(3-thietanyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(thietan-3-yl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-1-(thietan-3-yl)quinoline-3-carboxylic acid Formula: C18H20FN3O3S MolecularWeight: 377.433103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CSC4)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CSC4)F

InChI

InChI=1S/C18H20FN3O3S/c1-20-2-4-21(5-3-20)16-7-15-12(6-14(16)19)17(23)13(18(24)25)8-22(15)11-9-26-10-11/h6-8,11H,2-5,9-10H2,1H3,(H,24,25)