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

Systemtic Name: methyl 4-chloranyl-3-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H15ClF3N3O3S MolecularWeight: 481.87531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClF3N3O3S/c1-31-19(30)13-7-8-14(22)16(9-13)26-18(29)11-32-20-27-15(12-5-3-2-4-6-12)10-17(28-20)21(23,24)25/h2-10H,11H2,1H3,(H,26,29)