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

Systemtic Name: methyl 2-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H16F3N3O3S MolecularWeight: 447.43025

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H16F3N3O3S/c1-30-19(29)14-9-5-6-10-15(14)25-18(28)12-31-20-26-16(13-7-3-2-4-8-13)11-17(27-20)21(22,23)24/h2-11H,12H2,1H3,(H,25,28)