4-[5-ethoxycarbonyl-6-oxidanyl-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid

Systemtic Name: 4-[5-ethoxycarbonyl-6-oxidanyl-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid Openeye Name: 4-[5-ethoxycarbonyl-6-hydroxy-2-thioxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid CAS Name: 4-[5-ethoxycarbonyl-6-hydroxy-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid IUPAC Name: 4-[5-ethoxycarbonyl-6-hydroxy-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid Traditional Name: 4-[5-carbethoxy-6-hydroxy-2-thioxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid Formula: C15H15F3N2O5S MolecularWeight: 392.35021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15F3N2O5S/c1-2-25-12(23)9-10(7-3-5-8(6-4-7)11(21)22)19-13(26)20-14(9,24)15(16,17)18/h3-6,9-10,24H,2H2,1H3,(H,21,22)(H2,19,20,26)