WMQ

2-{[(1H-indol-7-yl)oxy]methyl}-1,3-thiazole-4-carboxylic acid

Created:	2023-05-15
Last modified:	2023-06-14

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1 entries where WMQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	15

2D diagram of WMQ

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Chemical Component Summary
Name	2-{[(1H-indol-7-yl)oxy]methyl}-1,3-thiazole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-(1~{H}-indol-7-yloxymethyl)-1,3-thiazole-4-carboxylic acid
Formula	C₁₃ H₁₀ N₂ O₃ S
Molecular Weight	274.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1csc(COc2cccc3cc[NH]c23)n1
SMILES	CACTVS	3.385	OC(=O)c1csc(COc2cccc3cc[nH]c23)n1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2cc[nH]c2c(c1)OCc3nc(cs3)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1csc(COc2cccc3cc[nH]c23)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2cc[nH]c2c(c1)OCc3nc(cs3)C(=O)O
InChI	InChI	1.06	InChI=1S/C13H10N2O3S/c16-13(17)9-7-19-11(15-9)6-18-10-3-1-2-8-4-5-14-12(8)10/h1-5,7,14H,6H2,(H,16,17)
InChIKey	InChI	1.06	VCFUHAJTOVWERD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168300917

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