methyl 4-[6-oxidanyl-5-(phenylcarbonyl)-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate

Systemtic Name: methyl 4-[6-oxidanyl-5-(phenylcarbonyl)-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate Openeye Name: methyl 4-[5-benzoyl-6-hydroxy-2-thioxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoate CAS Name: 4-[5-benzoyl-6-hydroxy-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-benzoyl-6-hydroxy-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate Traditional Name: 4-[5-benzoyl-6-hydroxy-2-thioxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid methyl ester Formula: C20H17F3N2O4S MolecularWeight: 438.42019

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17F3N2O4S/c1-29-17(27)13-9-7-11(8-10-13)15-14(16(26)12-5-3-2-4-6-12)19(28,20(21,22)23)25-18(30)24-15/h2-10,14-15,28H,1H3,(H2,24,25,30)