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

Systemtic Name: methyl 4-[[6-oxidanylidene-1-propyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[6-oxo-1-propyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[6-oxo-1-propyl-4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-oxo-1-propyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[6-keto-1-propyl-4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C17H17F3N2O3S MolecularWeight: 386.38869

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=C(N=C1SCC2=CC=C(C=C2)C(=O)OC)C(F)(F)F

Isomeric SMILES

CCCN1C(=O)C=C(N=C1SCC2=CC=C(C=C2)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C17H17F3N2O3S/c1-3-8-22-14(23)9-13(17(18,19)20)21-16(22)26-10-11-4-6-12(7-5-11)15(24)25-2/h4-7,9H,3,8,10H2,1-2H3