4-[2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[[7-methoxy-4-(trifluoromethyl)-2-quinolyl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[7-methoxy-4-(trifluoromethyl)-2-quinolinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[7-methoxy-4-(trifluoromethyl)-2-quinolyl]thio]acetyl]amino]benzoic acid Formula: C20H15F3N2O4S MolecularWeight: 436.40431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O4S/c1-29-13-6-7-14-15(20(21,22)23)9-18(25-16(14)8-13)30-10-17(26)24-12-4-2-11(3-5-12)19(27)28/h2-9H,10H2,1H3,(H,24,26)(H,27,28)