Diethyl (3-thienyl)malonate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O4S
Molecular Weight	242.291
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Diethyl (3-thienyl)malonate

Structure Search

SMILES

CCOC(=O)C(C(=O)OCC)C1=CSC=C1

InChI

InChIKey=AURROROYQPIDRG-UHFFFAOYSA-N

InChI=1S/C11H14O4S/c1-3-14-10(12)9(11(13)15-4-2)8-5-6-16-7-8/h5-7,9H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H14O4S
Molecular Weight	242.291
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 19:10:10 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:10 GMT 2025`
Record UNII	W96677WC36
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-Diethyl 2-(3-thienyl)propanedioate

Preferred Name

English

Diethyl (3-thienyl)malonate

Systematic Name

English

Propanedioic acid, 2-(3-thienyl)-, 1,3-diethyl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

253-666-1

Created by admin on Tue Apr 01 19:10:10 GMT 2025 , Edited by admin on Tue Apr 01 19:10:10 GMT 2025

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CAS

37784-67-1

Created by admin on Tue Apr 01 19:10:10 GMT 2025 , Edited by admin on Tue Apr 01 19:10:10 GMT 2025

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FDA UNII

W96677WC36

Created by admin on Tue Apr 01 19:10:10 GMT 2025 , Edited by admin on Tue Apr 01 19:10:10 GMT 2025

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EPA CompTox

DTXSID10191231

Created by admin on Tue Apr 01 19:10:10 GMT 2025 , Edited by admin on Tue Apr 01 19:10:10 GMT 2025

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PUBCHEM

3015942

Created by admin on Tue Apr 01 19:10:10 GMT 2025 , Edited by admin on Tue Apr 01 19:10:10 GMT 2025

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