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

Systemtic Name: 7-fluoranyl-5-oxidanylidene-1-phenylsulfanyl-8-piperazin-1-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid Openeye Name: 7-fluoro-5-oxo-1-phenylsulfanyl-8-piperazin-1-yl-1,2-dihydrothiazolo[3,2-a]quinoline-4-carboxylic acid CAS Name: 7-fluoro-5-oxo-1-(phenylthio)-8-(1-piperazinyl)-1,2-dihydrothiazolo[3,2-a]quinoline-4-carboxylic acid IUPAC Name: 7-fluoro-5-oxo-1-phenylsulfanyl-8-piperazin-1-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid Traditional Name: 7-fluoro-5-keto-1-(phenylthio)-8-piperazino-1,2-dihydrothiazolo[3,2-a]quinoline-4-carboxylic acid Formula: C22H20FN3O3S2 MolecularWeight: 457.540903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N4C(CSC4=C(C3=O)C(=O)O)SC5=CC=CC=C5)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N4C(CSC4=C(C3=O)C(=O)O)SC5=CC=CC=C5)F

InChI

InChI=1S/C22H20FN3O3S2/c23-15-10-14-16(11-17(15)25-8-6-24-7-9-25)26-18(31-13-4-2-1-3-5-13)12-30-21(26)19(20(14)27)22(28)29/h1-5,10-11,18,24H,6-9,12H2,(H,28,29)