A1EDZ

4-oxidanylidene-4-thiophen-2-yl-butanoic acid

Created:	2024-10-17
Last modified:	2025-08-27

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1 entries where A1EDZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	5

2D diagram of A1EDZ

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Chemical Component Summary
Name	4-oxidanylidene-4-thiophen-2-yl-butanoic acid
Synonyms	3-(2-Thenoyl)propionic acid
Systematic Name (OpenEye OEToolkits)	4-oxidanylidene-4-thiophen-2-yl-butanoic acid
Formula	C₈ H₈ O₃ S
Molecular Weight	184.212
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)CCC(=O)c1sccc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(sc1)C(=O)CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCC(=O)c1sccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(sc1)C(=O)CCC(=O)O
InChI	InChI	1.06	InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
InChIKey	InChI	1.06	ULJMYWHLMLRYSO-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.