CAS 1142209-96-8

1-Ethyl 4-[[[5-[[(carboxymethyl)thio]methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]benzoate

Description:

1-Ethyl 4-[[[5-[[(carboxymethyl)thio]methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]benzoate, with CAS number 1142209-96-8, is a chemical compound characterized by its complex structure, which includes an ethyl group, a benzoate moiety, and a thiadiazole ring. This compound features a carboxymethylthio group, contributing to its potential reactivity and solubility in various solvents. The presence of the thiadiazole ring suggests possible biological activity, as thiadiazoles are often associated with pharmacological properties. The carboxymethyl group may enhance solubility in polar solvents, making it suitable for various applications in medicinal chemistry or agricultural chemistry. Additionally, the compound's structure indicates potential for interactions with biological targets, which could be explored for therapeutic uses. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its stability and reactivity would depend on the specific conditions under which it is handled. Overall, this compound represents a unique combination of functional groups that may lend itself to diverse applications in research and industry.

Formula: C₁₅H₁₅N₃O₅S₂

InChI: InChI=1S/C15H15N3O5S2/c1-2-23-15(22)9-3-5-10(6-4-9)16-13(21)14-18-17-11(25-14)7-24-8-12(19)20/h3-6H,2,7-8H2,1H3,(H,16,21)(H,19,20)

InChI key: InChIKey=FMQWNGMJMIEASV-UHFFFAOYSA-N

SMILES: C(NC1=CC=C(C(OCC)=O)C=C1)(=O)C=2SC(CSCC(O)=O)=NN2

Synonyms:

• 1-Ethyl 4-[[[5-[[(carboxymethyl)thio]methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]benzoate
• Benzoic acid, 4-[[[5-[[(carboxymethyl)thio]methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]-, 1-ethyl ester