methyl 3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O3S/c1-9-6-12(16(17,18)19)22-15(20-9)26-8-13(23)21-11-5-3-4-10(7-11)14(24)25-2/h3-7H,8H2,1-2H3,(H,21,23)