2-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethylsulfanyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethylsulfanyl)phenyl]ethanoic acid Openeye Name: 2-[4-(2-quinolylmethoxy)-3-(trifluoromethylsulfanyl)phenyl]acetic acid CAS Name: 2-[4-(2-quinolinylmethoxy)-3-(trifluoromethylthio)phenyl]acetic acid IUPAC Name: 2-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethylsulfanyl)phenyl]acetic acid Traditional Name: 2-[4-(2-quinolylmethoxy)-3-(trifluoromethylthio)phenyl]acetic acid Formula: C19H14F3NO3S MolecularWeight: 393.37957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=C(C=C(C=C3)CC(=O)O)SC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=C(C=C(C=C3)CC(=O)O)SC(F)(F)F

InChI

InChI=1S/C19H14F3NO3S/c20-19(21,22)27-17-9-12(10-18(24)25)5-8-16(17)26-11-14-7-6-13-3-1-2-4-15(13)23-14/h1-9H,10-11H2,(H,24,25)