1-ethyl-6-fluoranyl-7-imidazol-1-yl-8-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-imidazol-1-yl-8-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-imidazol-1-yl-8-methylsulfanyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-(1-imidazolyl)-8-(methylthio)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-imidazol-1-yl-8-methylsulfanyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-imidazol-1-yl-4-keto-8-(methylthio)quinoline-3-carboxylic acid Formula: C16H14FN3O3S MolecularWeight: 347.364063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)SC)N3C=CN=C3)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)SC)N3C=CN=C3)F)C(=O)O

InChI

InChI=1S/C16H14FN3O3S/c1-3-19-7-10(16(22)23)14(21)9-6-11(17)13(15(24-2)12(9)19)20-5-4-18-8-20/h4-8H,3H2,1-2H3,(H,22,23)