methyl 4-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H14F3N3O3S MolecularWeight: 385.36087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O3S/c1-25-14(24)11-4-2-10(3-5-11)8-21-13(23)9-26-15-20-7-6-12(22-15)16(17,18)19/h2-7H,8-9H2,1H3,(H,21,23)