C11 H16 N2 O2 S
WD0
(3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothiazole-6-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothi...Show more
Formula
Standard InChI
InChI=1S/C11H16N2O2S/c1-15-5-4-12-11(14)8-2-3-9-10(6-8)16-7-13-9/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,12,14)/t8-,9+/m1/s1
Standard InChI Key
BQJVJHSWHVKPQG-BDAKNGLRSA-N
SMILES
COCCNC(=O)C1C=CC2C(=C1)SCN2
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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