1-cyclopropyl-7-ethanoyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-ethanoyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-acetyl-1-cyclopropyl-6-fluoro-2-methylsulfanyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-acetyl-1-cyclopropyl-6-fluoro-2-(methylthio)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-acetyl-1-cyclopropyl-6-fluoro-2-methylsulfanyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-acetyl-1-cyclopropyl-6-fluoro-4-keto-2-(methylthio)quinoline-3-carboxylic acid Formula: C16H14FNO4S MolecularWeight: 335.350063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C2C(=C1)N(C(=C(C2=O)C(=O)O)SC)C3CC3)F

Isomeric SMILES

CC(=O)C1=C(C=C2C(=C1)N(C(=C(C2=O)C(=O)O)SC)C3CC3)F

InChI

InChI=1S/C16H14FNO4S/c1-7(19)9-6-12-10(5-11(9)17)14(20)13(16(21)22)15(23-2)18(12)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,21,22)