2-(5-ethylthiophen-2-yl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid

Systemtic Name: 2-(5-ethylthiophen-2-yl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: 2-(5-ethyl-2-thienyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: 2-(5-ethyl-2-thiophenyl)-6-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-ethylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid Traditional Name: 2-(5-ethyl-2-thienyl)-6-(trifluoromethoxy)cinchoninic acid Formula: C17H12F3NO3S MolecularWeight: 367.34229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)O

InChI

InChI=1S/C17H12F3NO3S/c1-2-10-4-6-15(25-10)14-8-12(16(22)23)11-7-9(24-17(18,19)20)3-5-13(11)21-14/h3-8H,2H2,1H3,(H,22,23)