8-fluoranyl-4-oxidanylidene-1-[(5-thiophen-2-ylpyridin-2-yl)methyl]quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-4-oxidanylidene-1-[(5-thiophen-2-ylpyridin-2-yl)methyl]quinoline-3-carboxylic acid Openeye Name: 8-fluoro-4-oxo-1-[[5-(2-thienyl)-2-pyridyl]methyl]quinoline-3-carboxylic acid CAS Name: 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-4-oxo-1-[(5-thiophen-2-ylpyridin-2-yl)methyl]quinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[[5-(2-thienyl)-2-pyridyl]methyl]quinoline-3-carboxylic acid Formula: C20H13FN2O3S MolecularWeight: 380.392223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=NC=C(C=C3)C4=CC=CS4

Isomeric SMILES

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=NC=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C20H13FN2O3S/c21-16-4-1-3-14-18(16)23(11-15(19(14)24)20(25)26)10-13-7-6-12(9-22-13)17-5-2-8-27-17/h1-9,11H,10H2,(H,25,26)