S-methyl 6-(4-methoxyphenyl)-4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carbothioate

Systemtic Name: S-methyl 6-(4-methoxyphenyl)-4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carbothioate Openeye Name: S-methyl 4-hydroxy-6-(4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carbothioate CAS Name: 4-hydroxy-6-(4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carbothioic acid S-methyl ester IUPAC Name: S-methyl 4-hydroxy-6-(4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carbothioate Traditional Name: 4-hydroxy-2-keto-6-(4-methoxyphenyl)-4-(trifluoromethyl)hexahydropyrimidine-5-carbothioic acid S-methyl ester Formula: C14H15F3N2O4S MolecularWeight: 364.34011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)SC

InChI

InChI=1S/C14H15F3N2O4S/c1-23-8-5-3-7(4-6-8)10-9(11(20)24-2)13(22,14(15,16)17)19-12(21)18-10/h3-6,9-10,22H,1-2H3,(H2,18,19,21)