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

Systemtic Name: 4-[6-oxidanyl-2-oxidanylidene-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid Openeye Name: 4-[6-hydroxy-2-oxo-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid CAS Name: 4-[6-hydroxy-2-oxo-5-[oxo(thiophen-2-yl)methyl]-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid IUPAC Name: 4-[6-hydroxy-2-oxo-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid Traditional Name: 4-[6-hydroxy-2-keto-5-(2-thenoyl)-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid Formula: C17H13F3N2O5S MolecularWeight: 414.35573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13F3N2O5S/c18-17(19,20)16(27)11(13(23)10-2-1-7-28-10)12(21-15(26)22-16)8-3-5-9(6-4-8)14(24)25/h1-7,11-12,27H,(H,24,25)(H2,21,22,26)