7-carbamothioyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-carbamothioyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-carbamothioyl-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-carbamothioyl-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-carbamothioyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-thiocarbamoyl-quinoline-3-carboxylic acid Formula: C13H11FN2O3S MolecularWeight: 294.301443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C(=S)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C(=S)N)F)C(=O)O

InChI

InChI=1S/C13H11FN2O3S/c1-2-16-5-8(13(18)19)11(17)7-3-9(14)6(12(15)20)4-10(7)16/h3-5H,2H2,1H3,(H2,15,20)(H,18,19)