6-fluoranyl-7-(4-methylpiperazin-1-yl)-8-methylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-8-methylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-8-(methylthio)-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-8-(methylthio)-1H-quinoline-3-carboxylic acid Formula: C16H18FN3O3S MolecularWeight: 351.395823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2SC)NC=C(C3=O)C(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2SC)NC=C(C3=O)C(=O)O)F

InChI

InChI=1S/C16H18FN3O3S/c1-19-3-5-20(6-4-19)13-11(17)7-9-12(15(13)24-2)18-8-10(14(9)21)16(22)23/h7-8H,3-6H2,1-2H3,(H,18,21)(H,22,23)