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CAS Number: 105191-14-8
ethyl 5-cyanobenzo[b]thiophene-2-carboxylate

Structure

 ethyl 5-cyanobenzo[b]thiophene-2-carboxylate
Name: ethyl 5-cyanobenzo[b]thiophene-2-carboxylate
Synonyms:
General Information
Product Number: 105191148

CAS Registry Number 105191-14-8
Name:
Benzo[b]?thiophene-?2-?carboxylic acid, 5-?cyano-?, ethyl ester
Ethyl 5-cyanobenzo[b]thiophene-2-carboxylate

 

Chemical Formula: C12H9NO2S
Exact Mass: 231.04
Molecular Weight: 231.27
m/z: 231.04 (100.0%), 232.04 (13.2%), 233.03 (4.5%), 233.04 (1.3%), 232.03 (1.2%)

 

InChI:InChI=1S/C12H9NO2S/c1-2-15-12(14)11-6-9-5-8(7-13)3-4-10(9)16-11/h3-6H,2H2,1H3

InChI Key:KURMBVGYOCYEDO-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=CC2=C(S1)C=CC(=C2)C#N

Specification

98%
References

PCT Int. Appl. (1997), WO 9745424 A1 19971204.                                  

Chemical & Pharmaceutical Bulletin (1999), 47(12), 1694-1712.                                 
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