methyl 4-[[1-methyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-methyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-methyl-6-oxo-4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[6-keto-1-methyl-4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C15H13F3N2O3S MolecularWeight: 358.33553

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1SCC2=CC=C(C=C2)C(=O)OC)C(F)(F)F

Isomeric SMILES

CN1C(=O)C=C(N=C1SCC2=CC=C(C=C2)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O3S/c1-20-12(21)7-11(15(16,17)18)19-14(20)24-8-9-3-5-10(6-4-9)13(22)23-2/h3-7H,8H2,1-2H3