methyl 2-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[1-oxo-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propanoylamino]benzoic acid methyl ester Formula: C22H18F3N3O3S MolecularWeight: 461.45683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H18F3N3O3S/c1-13(19(29)26-16-11-7-6-10-15(16)20(30)31-2)32-21-27-17(14-8-4-3-5-9-14)12-18(28-21)22(23,24)25/h3-13H,1-2H3,(H,26,29)