CAS 545437-55-6

Methyl 2-[(2-cyanoacetyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate

Description:

Methyl 2-[(2-cyanoacetyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate, identified by its CAS number 545437-55-6, is a synthetic organic compound characterized by its complex molecular structure, which includes a thiophene ring, an amine group, and a cyanoacetyl moiety. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as potential biological activity and solubility in organic solvents. The presence of the thiophene ring contributes to its electronic properties, making it a candidate for various applications in pharmaceuticals and materials science. Additionally, the cyano and carboxylate functional groups may impart reactivity that can be exploited in further chemical synthesis or modifications. Its specific characteristics, including melting point, boiling point, and solubility, would depend on the purity and specific conditions under which it is studied. As with many synthetic compounds, safety data and handling precautions should be considered due to potential toxicity or reactivity.

Formula: C₁₆H₁₄N₂O₃S

InChI: InChI=1S/C16H14N2O3S/c1-10-3-5-11(6-4-10)12-9-22-15(14(12)16(20)21-2)18-13(19)7-8-17/h3-6,9H,7H2,1-2H3,(H,18,19)

InChI key: InChIKey=ZEJNUFNLUMEPPM-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(=CSC1NC(CC#N)=O)C2=CC=C(C)C=C2

Synonyms:

• 3-Thiophenecarboxylic acid, 2-[(cyanoacetyl)amino]-4-(4-methylphenyl)-, methyl ester
• Methyl 2-[(2-cyanoacetyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate
• 3-Thiophenecarboxylic acid, 2-[(2-cyanoacetyl)amino]-4-(4-methylphenyl)-, methyl ester