1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methanoyl-3-thiophen-2-yl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methanoyl-3-thiophen-2-yl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-[4-formyl-3-(2-thienyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-(4-formyl-3-thiophen-2-yl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-(4-formyl-3-thiophen-2-ylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-7-[4-formyl-3-(2-thienyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C22H19F2N3O4S MolecularWeight: 459.465766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCN(C(C4)C5=CC=CS5)C=O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCN(C(C4)C5=CC=CS5)C=O)F)C(=O)O

InChI

InChI=1S/C22H19F2N3O4S/c23-15-8-13-19(27(12-3-4-12)9-14(21(13)29)22(30)31)18(24)20(15)25-5-6-26(11-28)16(10-25)17-2-1-7-32-17/h1-2,7-9,11-12,16H,3-6,10H2,(H,30,31)