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

Systemtic Name: methyl 4-[[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H16F3NO3S MolecularWeight: 383.38475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3NO3S/c1-25-17(24)13-7-5-12(6-8-13)10-22-16(23)11-26-15-4-2-3-14(9-15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,23)