methyl 4-[6-oxidanyl-2-oxidanylidene-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate

Systemtic Name: methyl 4-[6-oxidanyl-2-oxidanylidene-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate Openeye Name: methyl 4-[6-hydroxy-2-oxo-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoate CAS Name: 4-[6-hydroxy-2-oxo-5-[oxo(thiophen-2-yl)methyl]-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-hydroxy-2-oxo-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate Traditional Name: 4-[6-hydroxy-2-keto-5-(2-thenoyl)-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid methyl ester Formula: C18H15F3N2O5S MolecularWeight: 428.38231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H15F3N2O5S/c1-28-15(25)10-6-4-9(5-7-10)13-12(14(24)11-3-2-8-29-11)17(27,18(19,20)21)23-16(26)22-13/h2-8,12-13,27H,1H3,(H2,22,23,26)