7-(4-dithiocarboxypiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-dithiocarboxypiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-dithiocarboxypiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-dithiocarboxy-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-dithiocarboxypiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-dithiocarboxypiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H18FN3O3S2 MolecularWeight: 395.471523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)S)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)S)F)C(=O)O

InChI

InChI=1S/C17H18FN3O3S2/c1-2-19-9-11(16(23)24)15(22)10-7-12(18)14(8-13(10)19)20-3-5-21(6-4-20)17(25)26/h7-9H,2-6H2,1H3,(H,23,24)(H,25,26)