1-cyclopropyl-7-(2-ethylsulfanylethylamino)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(2-ethylsulfanylethylamino)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(2-ethylsulfanylethylamino)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[2-(ethylthio)ethylamino]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(2-ethylsulfanylethylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[2-(ethylthio)ethylamino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H19FN2O3S MolecularWeight: 350.407763

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

CCSCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F

InChI

InChI=1S/C17H19FN2O3S/c1-2-24-6-5-19-14-8-15-11(7-13(14)18)16(21)12(17(22)23)9-20(15)10-3-4-10/h7-10,19H,2-6H2,1H3,(H,22,23)