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CAS 674773-13-8

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Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetate

Description:
Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetate is a complex organic compound characterized by its thiophene ring, which is a five-membered heterocyclic structure containing sulfur. This compound features multiple functional groups, including a cyano group, methoxycarbonyl groups, and an amine moiety, contributing to its potential reactivity and biological activity. The presence of the methoxy groups enhances its solubility in organic solvents, while the cyano group may impart unique electronic properties. The bis(2-methoxy-2-oxoethyl)amino substituent suggests potential for hydrogen bonding and interactions with biological targets, making it of interest in medicinal chemistry. Its structural complexity indicates potential applications in pharmaceuticals, particularly in the development of novel therapeutic agents. The compound's CAS number, 674773-13-8, allows for precise identification and retrieval of information in chemical databases, facilitating research and development efforts. Overall, this substance exemplifies the intricate design often found in synthetic organic chemistry aimed at achieving specific biological functions.
Formula:C16H18N2O8S
InChI:InChI=1S/C16H18N2O8S/c1-23-11(19)5-9-10(6-17)15(27-14(9)16(22)26-4)18(7-12(20)24-2)8-13(21)25-3/h5,7-8H2,1-4H3
InChI key:InChIKey=AYCCQDIBOMUCEW-UHFFFAOYSA-N
SMILES:N(CC(OC)=O)(CC(OC)=O)C1=C(C#N)C(CC(OC)=O)=C(C(OC)=O)S1
Synonyms:
  • 3-Thiopheneacetic acid, 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-, methyl ester
  • Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)-2-thiophenecarboxylate
  • Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetate
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