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

Systemtic Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H23FN4O3S MolecularWeight: 466.527823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=NC5=CC=CC=C5S4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=NC5=CC=CC=C5S4)F)C(=O)O

InChI

InChI=1S/C24H23FN4O3S/c1-2-28-13-16(24(31)32)23(30)15-11-17(25)20(12-19(15)28)29-9-7-27(8-10-29)14-22-26-18-5-3-4-6-21(18)33-22/h3-6,11-13H,2,7-10,14H2,1H3,(H,31,32)