C12 H11 N O3 S2
WQC
2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxy...Show more
Formula
Standard InChI
InChI=1S/C12H11NO3S2/c1-16-8-3-2-4-9(5-8)17-7-11-13-10(6-18-11)12(14)15/h2-6H,7H2,1H3,(H,14,15)
Standard InChI Key
UBUTXTKFOKXVRZ-UHFFFAOYSA-N
SMILES
COc1cccc(c1)SCc2nc(cs2)C(=O)O
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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