Benzo[b]thiophene-2-carboxylic acid, 5-cyano-, ethyl ester

CAS Registry Number®

105191-14-8
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CAS Name

Benzo[b]thiophene-2-carboxylic acid, 5-cyano-, ethyl ester

Molecular Formula

C12H9NO2S

Molecular Mass

231.27

Cite this Page

Benzo[b]thiophene-2-carboxylic acid, 5-cyano-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105191-14-8 (retrieved 2024-08-16) (CAS RN: 105191-14-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=KURMBVGYOCYEDO-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC=2C(S1)=CC=C(C#N)C2

Canonical SMILES

N#CC=1C=CC=2SC(=CC2C1)C(=O)OCC

Other Names for this Substance

  • Benzo[b]thiophene-2-carboxylic acid, 5-cyano-, ethyl ester
  • Ethyl 5-cyanobenzo[b]thiophene-2-carboxylate