FX4

[(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

Created:	2009-01-21
Last modified:	2021-03-13

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1 entries where FX4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	6

2D diagram of FX4

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Chemical Component Summary
Name	[(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
Synonyms	[5-(3-carboxymethoxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl]acetic acid
Systematic Name (OpenEye OEToolkits)	2-[(5Z)-5-[[3-(carboxymethyloxy)-4-methoxy-phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethanoic acid
Formula	C₁₅ H₁₃ N O₈ S
Molecular Weight	367.331
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CN1C(=O)C(\SC1=O)=C\c2ccc(OC)c(OCC(=O)O)c2
SMILES	CACTVS	3.341	COc1ccc(cc1OCC(O)=O)C=C2SC(=O)N(CC(O)=O)C2=O
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1OCC(=O)O)C=C2C(=O)N(C(=O)S2)CC(=O)O
Canonical SMILES	CACTVS	3.341	COc1ccc(cc1OCC(O)=O)\C=C2/SC(=O)N(CC(O)=O)C2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1OCC(=O)O)\C=C/2\C(=O)N(C(=O)S2)CC(=O)O
InChI	InChI	1.03	InChI=1S/C15H13NO8S/c1-23-9-3-2-8(4-10(9)24-7-13(19)20)5-11-14(21)16(6-12(17)18)15(22)25-11/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)/b11-5-
InChIKey	InChI	1.03	DLKPSHJFPIKYCB-WZUFQYTHSA-N

Related Resource References

Resource Name	Reference
PubChem	23655241
ChEMBL	CHEMBL396176

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