methyl 4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C17H14F3NO3S MolecularWeight: 369.35817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H14F3NO3S/c1-24-16(23)11-5-7-13(8-6-11)21-15(22)10-25-14-4-2-3-12(9-14)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)