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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15NO5S
Molecular Weight 297.327
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-((dimethylamino)thioxomethoxy)-o-acetylsalicylate

SMILES

COC(=O)C1=C(OC(C)=O)C=C(OC(=S)N(C)C)C=C1

InChI

InChIKey=GEHCHPPPQGTLNE-UHFFFAOYSA-N
InChI=1S/C13H15NO5S/c1-8(15)18-11-7-9(19-13(20)14(2)3)5-6-10(11)12(16)17-4/h5-7H,1-4H3

HIDE SMILES / InChI

Molecular Formula C13H15NO5S
Molecular Weight 297.327
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:28:57 GMT 2025
Edited
by admin
on Tue Apr 01 19:28:57 GMT 2025
Record UNII
BVT7729WL5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 2-(acetyloxy)-4-[(dimethylamino)thioxomethoxy]-, methyl ester
Preferred Name English
Methyl 4-((dimethylamino)thioxomethoxy)-o-acetylsalicylate
Systematic Name English
Methyl 2-(acetyloxy)-4-[(dimethylamino)thioxomethoxy]benzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
11971265
Created by admin on Tue Apr 01 19:28:57 GMT 2025 , Edited by admin on Tue Apr 01 19:28:57 GMT 2025
PRIMARY
ECHA (EC/EINECS)
302-350-2
Created by admin on Tue Apr 01 19:28:57 GMT 2025 , Edited by admin on Tue Apr 01 19:28:57 GMT 2025
PRIMARY
CAS
94108-12-0
Created by admin on Tue Apr 01 19:28:57 GMT 2025 , Edited by admin on Tue Apr 01 19:28:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID40240564
Created by admin on Tue Apr 01 19:28:57 GMT 2025 , Edited by admin on Tue Apr 01 19:28:57 GMT 2025
PRIMARY
FDA UNII
BVT7729WL5
Created by admin on Tue Apr 01 19:28:57 GMT 2025 , Edited by admin on Tue Apr 01 19:28:57 GMT 2025
PRIMARY