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

Systemtic Name: methyl 3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C15H12F3N3O3S MolecularWeight: 371.33429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F3N3O3S/c1-24-13(23)9-3-2-4-10(7-9)20-12(22)8-25-14-19-6-5-11(21-14)15(16,17)18/h2-7H,8H2,1H3,(H,20,22)