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

Systemtic Name: methyl 4-chloranyl-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C16H13ClF3N3O3S MolecularWeight: 419.80593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClF3N3O3S/c1-8-5-12(16(18,19)20)23-15(21-8)27-7-13(24)22-11-6-9(14(25)26-2)3-4-10(11)17/h3-6H,7H2,1-2H3,(H,22,24)