7-fluoranyl-1-methylsulfanyl-5-oxidanylidene-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

Systemtic Name: 7-fluoranyl-1-methylsulfanyl-5-oxidanylidene-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid Openeye Name: 7-fluoro-1-methylsulfanyl-5-oxo-8-piperazin-1-yl-thiazolo[3,2-a]quinoline-4-carboxylic acid CAS Name: 7-fluoro-1-(methylthio)-5-oxo-8-(1-piperazinyl)-4-thiazolo[3,2-a]quinolinecarboxylic acid IUPAC Name: 7-fluoro-1-methylsulfanyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid Traditional Name: 7-fluoro-5-keto-1-(methylthio)-8-piperazino-thiazolo[3,2-a]quinoline-4-carboxylic acid Formula: C17H16FN3O3S2 MolecularWeight: 393.455643

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CSC2=C(C(=O)C3=CC(=C(C=C3N12)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CSC1=CSC2=C(C(=O)C3=CC(=C(C=C3N12)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C17H16FN3O3S2/c1-25-13-8-26-16-14(17(23)24)15(22)9-6-10(18)12(7-11(9)21(13)16)20-4-2-19-3-5-20/h6-8,19H,2-5H2,1H3,(H,23,24)