1-ethyl-6,8-bis(fluoranyl)-7-(3-methylsulfonylphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-(3-methylsulfonylphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-(3-methylsulfonylphenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-(3-methylsulfonylphenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-(3-methylsulfonylphenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(3-mesylphenyl)quinoline-3-carboxylic acid Formula: C19H15F2NO5S MolecularWeight: 407.387906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC(=CC=C3)S(=O)(=O)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC(=CC=C3)S(=O)(=O)C)F)C(=O)O

InChI

InChI=1S/C19H15F2NO5S/c1-3-22-9-13(19(24)25)18(23)12-8-14(20)15(16(21)17(12)22)10-5-4-6-11(7-10)28(2,26)27/h4-9H,3H2,1-2H3,(H,24,25)