(2S)-2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[7-methoxy-4-(trifluoromethyl)-2-quinolyl]sulfanyl]-2-phenyl-acetic acid CAS Name: (2S)-2-[[7-methoxy-4-(trifluoromethyl)-2-quinolinyl]thio]-2-phenylacetic acid IUPAC Name: (2S)-2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: (2S)-2-[[7-methoxy-4-(trifluoromethyl)-2-quinolyl]thio]-2-phenyl-acetic acid Formula: C19H14F3NO3S MolecularWeight: 393.37957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SC(C3=CC=CC=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)S[C@@H](C3=CC=CC=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H14F3NO3S/c1-26-12-7-8-13-14(19(20,21)22)10-16(23-15(13)9-12)27-17(18(24)25)11-5-3-2-4-6-11/h2-10,17H,1H3,(H,24,25)/t17-/m0/s1