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

Systemtic Name: 7-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-1-tert-butyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-tert-butyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(1,2-benzothiazol-3-yl)piperazino]-1-tert-butyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H25FN4O3S MolecularWeight: 480.554403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NSC5=CC=CC=C54)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NSC5=CC=CC=C54)F)C(=O)O

InChI

InChI=1S/C25H25FN4O3S/c1-25(2,3)30-14-17(24(32)33)22(31)16-12-18(26)20(13-19(16)30)28-8-10-29(11-9-28)23-15-6-4-5-7-21(15)34-27-23/h4-7,12-14H,8-11H2,1-3H3,(H,32,33)