2-methoxy-5-[[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]amino]methyl]benzoic acid Formula: C18H16F3NO4S MolecularWeight: 399.38415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H16F3NO4S/c1-26-15-6-5-11(7-14(15)17(24)25)9-22-16(23)10-27-13-4-2-3-12(8-13)18(19,20)21/h2-8H,9-10H2,1H3,(H,22,23)(H,24,25)