2-(2,5-dimethylthiophen-3-yl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid

Systemtic Name: 2-(2,5-dimethylthiophen-3-yl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dimethyl-3-thienyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: 2-(2,5-dimethyl-3-thiophenyl)-6-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dimethylthiophen-3-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid Traditional Name: 2-(2,5-dimethyl-3-thienyl)-6-(trifluoromethoxy)cinchoninic acid Formula: C17H12F3NO3S MolecularWeight: 367.34229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)O

InChI

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