2-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]quinolin-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]quinolin-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[4-[[2-(trifluoromethyl)phenyl]carbamoyl]-2-quinolyl]sulfanyl]propanoic acid CAS Name: 2-[[4-[oxo-[2-(trifluoromethyl)anilino]methyl]-2-quinolinyl]thio]propanoic acid IUPAC Name: 2-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]quinolin-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[4-[[2-(trifluoromethyl)phenyl]carbamoyl]-2-quinolyl]thio]propionic acid Formula: C20H15F3N2O3S MolecularWeight: 420.40491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C(=O)O)SC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H15F3N2O3S/c1-11(19(27)28)29-17-10-13(12-6-2-4-8-15(12)24-17)18(26)25-16-9-5-3-7-14(16)20(21,22)23/h2-11H,1H3,(H,25,26)(H,27,28)