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Details

Stereochemistry RACEMIC
Molecular Formula C9H9NO2S
Molecular Weight 195.238
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2-cyano-2-(3-thienyl)acetate

SMILES

CCOC(=O)C(C#N)C1=CSC=C1

InChI

InChIKey=BXETXHHTOKRXCR-UHFFFAOYSA-N
InChI=1S/C9H9NO2S/c1-2-12-9(11)8(5-10)7-3-4-13-6-7/h3-4,6,8H,2H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-Thiopheneacetic acid, ?-cyano-, ethyl ester
Preferred Name English
Ethyl 2-cyano-2-(3-thienyl)acetate
Systematic Name English
Ethyl ?-cyano-3-thiopheneacetate
Systematic Name English
Code System Code Type Description
FDA UNII
8W7ZHY37DC
Created by admin on Wed Apr 02 13:40:52 GMT 2025 , Edited by admin on Wed Apr 02 13:40:52 GMT 2025
PRIMARY
PUBCHEM
89500
Created by admin on Wed Apr 02 13:40:52 GMT 2025 , Edited by admin on Wed Apr 02 13:40:52 GMT 2025
PRIMARY
CAS
21418-54-2
Created by admin on Wed Apr 02 13:40:52 GMT 2025 , Edited by admin on Wed Apr 02 13:40:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID20943985
Created by admin on Wed Apr 02 13:40:52 GMT 2025 , Edited by admin on Wed Apr 02 13:40:52 GMT 2025
PRIMARY
NIH
NCATS
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