1-ethyl-6-fluoranyl-7-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[2-(methylthio)nicotinoyl]piperazino]quinoline-3-carboxylic acid Formula: C23H23FN4O4S MolecularWeight: 470.516523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=C(N=CC=C4)SC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=C(N=CC=C4)SC)F)C(=O)O

InChI

InChI=1S/C23H23FN4O4S/c1-3-26-13-16(23(31)32)20(29)15-11-17(24)19(12-18(15)26)27-7-9-28(10-8-27)22(30)14-5-4-6-25-21(14)33-2/h4-6,11-13H,3,7-10H2,1-2H3,(H,31,32)