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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O5S
Molecular Weight 284.328
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethylethyl 4-(methoxycarbonyl)-?-oxo-3-thiophenepropanoate

SMILES

COC(=O)C1=CSC=C1C(=O)CC(=O)OC(C)(C)C

InChI

InChIKey=WIDUCKIYCKXGDI-UHFFFAOYSA-N
InChI=1S/C13H16O5S/c1-13(2,3)18-11(15)5-10(14)8-6-19-7-9(8)12(16)17-4/h6-7H,5H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,1-Dimethylethyl 4-(methoxycarbonyl)-?-oxo-3-thiophenepropanoate
Systematic Name English
3-Thiophenepropanoic acid, 4-(methoxycarbonyl)-?-oxo-, 1,1-dimethylethyl ester
Preferred Name English
Code System Code Type Description
FDA UNII
E694Q3KHH8
Created by admin on Wed Apr 02 19:46:25 GMT 2025 , Edited by admin on Wed Apr 02 19:46:25 GMT 2025
PRIMARY
PUBCHEM
132259148
Created by admin on Wed Apr 02 19:46:25 GMT 2025 , Edited by admin on Wed Apr 02 19:46:25 GMT 2025
PRIMARY
CAS
2170729-43-6
Created by admin on Wed Apr 02 19:46:25 GMT 2025 , Edited by admin on Wed Apr 02 19:46:25 GMT 2025
PRIMARY
NIH
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