7-[3-(2,5-dimethylthiophen-3-yl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(2,5-dimethylthiophen-3-yl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(2,5-dimethyl-3-thienyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(2,5-dimethyl-3-thiophenyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(2,5-dimethylthiophen-3-yl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(2,5-dimethyl-3-thienyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H24FN3O3S MolecularWeight: 429.507663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=C(SC(=C4)C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=C(SC(=C4)C)C)F)C(=O)O

InChI

InChI=1S/C22H24FN3O3S/c1-4-25-10-16(22(28)29)21(27)15-8-17(23)20(9-19(15)25)26-6-5-24-18(11-26)14-7-12(2)30-13(14)3/h7-10,18,24H,4-6,11H2,1-3H3,(H,28,29)