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Details

Stereochemistry ACHIRAL
Molecular Formula C19H20O5S
Molecular Weight 360.424
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate

SMILES

CCOC(=O)C(C)(C(=O)OCC)C1=CC=C(C=C1)C(=O)C2=CC=CS2

InChI

InChIKey=RSUSQCKVKWHQFM-UHFFFAOYSA-N
InChI=1S/C19H20O5S/c1-4-23-17(21)19(3,18(22)24-5-2)14-10-8-13(9-11-14)16(20)15-7-6-12-25-15/h6-12H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C19H20O5S
Molecular Weight 360.424
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 19:17:28 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:28 GMT 2025
Record UNII
3X6KWJ55R6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate
Systematic Name English
1,3-Diethyl 2-methyl-2-[4-(2-thienylcarbonyl)phenyl]propanedioate
Preferred Name English
Propanedioic acid, 2-methyl-2-[4-(2-thienylcarbonyl)phenyl]-, 1,3-diethyl ester
Systematic Name English
Propanedioic acid, methyl[4-(2-thienylcarbonyl)phenyl]-, diethyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70200757
Created by admin on Tue Apr 01 19:17:28 GMT 2025 , Edited by admin on Tue Apr 01 19:17:28 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-169-3
Created by admin on Tue Apr 01 19:17:28 GMT 2025 , Edited by admin on Tue Apr 01 19:17:28 GMT 2025
PRIMARY
CAS
52779-57-4
Created by admin on Tue Apr 01 19:17:28 GMT 2025 , Edited by admin on Tue Apr 01 19:17:28 GMT 2025
PRIMARY
FDA UNII
3X6KWJ55R6
Created by admin on Tue Apr 01 19:17:28 GMT 2025 , Edited by admin on Tue Apr 01 19:17:28 GMT 2025
PRIMARY
PUBCHEM
104320
Created by admin on Tue Apr 01 19:17:28 GMT 2025 , Edited by admin on Tue Apr 01 19:17:28 GMT 2025
PRIMARY