7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(1,3-benzothiazol-2-yl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H23FN4O4S MolecularWeight: 494.537923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCN(CC3)C4=NC5=CC=CC=C5S4)F)C(=O)C(=CN2C6CC6)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCN(CC3)C4=NC5=CC=CC=C5S4)F)C(=O)C(=CN2C6CC6)C(=O)O

InChI

InChI=1S/C25H23FN4O4S/c1-34-23-20-15(22(31)16(24(32)33)13-30(20)14-6-7-14)12-17(26)21(23)28-8-10-29(11-9-28)25-27-18-4-2-3-5-19(18)35-25/h2-5,12-14H,6-11H2,1H3,(H,32,33)