CAS 851175-99-0

3-Ethyl 6-[(carboxymethyl)thio]-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate

Description:

3-Ethyl 6-[(carboxymethyl)thio]-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate, with the CAS number 851175-99-0, is a chemical compound that belongs to the class of pyridine derivatives. This substance features a pyridine ring substituted with various functional groups, including a cyano group, a carboxymethylthio group, and an ethyl group. The presence of the cyano group indicates potential reactivity, while the carboxymethylthio moiety suggests the compound may exhibit properties typical of thioesters or thiols, potentially influencing its solubility and reactivity in biological systems. The dihydro-2-oxo structure indicates that it may participate in various chemical reactions, including nucleophilic attacks or condensation reactions. This compound may have applications in medicinal chemistry or as an intermediate in organic synthesis, although specific biological activities or uses would require further investigation. Overall, its unique structure and functional groups contribute to its potential utility in various chemical and pharmaceutical contexts.

Formula: C₁₁H₁₀N₂O₅S

InChI: InChI=1S/C11H10N2O5S/c1-2-18-11(17)7-3-6(4-12)10(13-9(7)16)19-5-8(14)15/h3H,2,5H2,1H3,(H,13,16)(H,14,15)

InChI key: InChIKey=KZOBIVWPAVICID-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC(C#N)=C(SCC(O)=O)NC1=O

Synonyms:

• 3-Pyridinecarboxylic acid, 6-[(carboxymethyl)thio]-5-cyano-1,2-dihydro-2-oxo-, 3-ethyl ester
• 2-[[3-Cyano-5-(ethoxycarbonyl)-6-oxo-1,6-dihydropyridin-2-yl]sulfanyl]acetic acid
• 3-Ethyl 6-[(carboxymethyl)thio]-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate