CAS 109164-38-7

4-[[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino]-4-oxobutanoic acid

Description:

4-[[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino]-4-oxobutanoic acid, with the CAS number 109164-38-7, is a chemical compound characterized by its complex structure that includes both an amino group and a thienyl moiety. This compound features a butanoic acid backbone with a ketone functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the aminocarbonyl group enhances its ability to participate in various chemical reactions, making it a candidate for use in pharmaceuticals or agrochemicals. The thienyl ring, which is a five-membered aromatic heterocycle containing sulfur, adds to the compound's unique electronic properties and may influence its biological activity. Overall, this compound's structural features suggest it may exhibit interesting chemical behavior and potential utility in medicinal chemistry, although specific biological activities and applications would require further investigation.

Formula: C₁₁H₁₄N₂O₄S

InChI: InChI=1S/C11H14N2O4S/c1-5-6(2)18-11(9(5)10(12)17)13-7(14)3-4-8(15)16/h3-4H2,1-2H3,(H2,12,17)(H,13,14)(H,15,16)

InChI key: InChIKey=HAANHXDCIYFTLE-UHFFFAOYSA-N

SMILES: N(C(CCC(O)=O)=O)C1=C(C(N)=O)C(C)=C(C)S1

Synonyms:

• Butanoic acid, 4-[[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino]-4-oxo-
• 4-[[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]amino]-4-oxobutanoic acid