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CAS 325995-03-7

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ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE

Description:
Ethyl 2-((thioxo((4-(trifluoromethoxy)phenyl)amino)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, identified by CAS number 325995-03-7, is a complex organic compound characterized by its unique structural features. It contains a benzo[b]thiophene core, which contributes to its potential biological activity. The presence of a trifluoromethoxy group enhances its lipophilicity and may influence its interaction with biological targets. The thioamide functional group introduces reactivity that can be exploited in various chemical reactions. Additionally, the ethyl ester moiety suggests potential for hydrolysis, which could affect its pharmacokinetic properties. This compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Its intricate structure and functional groups suggest potential applications in drug development, particularly in targeting specific biological pathways. However, detailed studies on its biological activity, toxicity, and mechanism of action would be necessary to fully understand its potential applications.
Formula:C19H19F3N2O3S2
InChI:InChI=1S/C19H19F3N2O3S2/c1-2-26-17(25)15-13-5-3-4-6-14(13)29-16(15)24-18(28)23-11-7-9-12(10-8-11)27-19(20,21)22/h7-10H,2-6H2,1H3,(H2,23,24,28)
InChI key:JEDSJWZNWSTCFU-UHFFFAOYSA-N
SMILES:CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)OC(F)(F)F
Synonyms:
  • ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
  • Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[thioxo[[4-(trifluoromethoxy)phenyl]amino]methyl]amino]-, ethyl ester
  • ethyl 2-({[4-(trifluoromethoxy)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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