Sodium 5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H13N2O3S3.Na
Molecular Weight	352.428
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of Sodium 5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetate

Structure Search

SMILES

[Na+].CCN1CCSC1=CC=C2SC(=S)N(CC([O-])=O)C2=O

InChI

InChIKey=PPAGKUVTNPRNDA-FLHNYSSYSA-M

InChI=1S/C12H14N2O3S3.Na/c1-2-13-5-6-19-9(13)4-3-8-11(17)14(7-10(15)16)12(18)20-8;/h3-4H,2,5-7H2,1H3,(H,15,16);/q;+1/p-1/b8-3-,9-4-;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C12H13N2O3S3
Molecular Weight	329.438
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:54:10 GMT 2023` Edited by `admin` on `Sat Dec 16 19:54:10 GMT 2023`
Record UNII	3GUH5G7L7E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium 5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetate

Systematic Name

English

3-Thiazolidineacetic acid, 5-[2-(3-ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-, sodium salt (1:1)

Common Name

English

Sodium 2-(5-(2-(3-ethylthiazolidin-2-ylidene)ethylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate

Systematic Name

English

3-Thiazolidineacetic acid, 5-[(3-ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-, sodium salt

Common Name

English

Code System Code Type Description

CAS

68921-74-4

Created by admin on Sat Dec 16 19:54:10 GMT 2023 , Edited by admin on Sat Dec 16 19:54:10 GMT 2023

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FDA UNII

3GUH5G7L7E

Created by admin on Sat Dec 16 19:54:10 GMT 2023 , Edited by admin on Sat Dec 16 19:54:10 GMT 2023

PRIMARY

PUBCHEM

57352686

Created by admin on Sat Dec 16 19:54:10 GMT 2023 , Edited by admin on Sat Dec 16 19:54:10 GMT 2023

PRIMARY

EPA CompTox

DTXSID50887565

Created by admin on Sat Dec 16 19:54:10 GMT 2023 , Edited by admin on Sat Dec 16 19:54:10 GMT 2023

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5-[(3-Ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid

PARENT -> SALT/SOLVATE

Amount: