2-(4-methylsulfanylphenyl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: 2-(4-methylsulfanylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: 2-[4-(methylthio)phenyl]-6-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid Traditional Name: 2-[4-(methylthio)phenyl]-6-(trifluoromethoxy)cinchoninic acid Formula: C18H12F3NO3S MolecularWeight: 379.35299

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)O

InChI

InChI=1S/C18H12F3NO3S/c1-26-12-5-2-10(3-6-12)16-9-14(17(23)24)13-8-11(25-18(19,20)21)4-7-15(13)22-16/h2-9H,1H3,(H,23,24)