1-ethyl-6-fluoranyl-7-[4-[(2E)-2-hydroxyimino-2-thiophen-3-yl-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(2E)-2-hydroxyimino-2-thiophen-3-yl-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(2E)-2-hydroxyimino-2-(3-thienyl)ethyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(2E)-2-hydroxyimino-2-(3-thiophenyl)ethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(2E)-2-hydroxyimino-2-thiophen-3-ylethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[(2E)-2-hydroximino-2-(3-thienyl)ethyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=NO)C4=CSC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C/C(=N/O)/C4=CSC=C4)F)C(=O)O

InChI

InChI=1S/C22H23FN4O4S/c1-2-26-11-16(22(29)30)21(28)15-9-17(23)20(10-19(15)26)27-6-4-25(5-7-27)12-18(24-31)14-3-8-32-13-14/h3,8-11,13,31H,2,4-7,12H2,1H3,(H,29,30)/b24-18-