C13 H12 O3 S
A1JS7
(6~{S})-6-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
(6~{S})-6-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzofuran-3-ca...Show more
Formula
Standard InChI
InChI=1S/C13H12O3S/c14-13(15)10-7-16-11-6-8(3-4-9(10)11)12-2-1-5-17-12/h1-2,5,7-8H,3-4,6H2,(H,14,15)/t8-/m0/s1
Standard InChI Key
XWUYLTHPXLPPNC-QMMMGPOBSA-N
SMILES
c1cc(sc1)[C@H]2CCc3c(coc3C2)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.
Displayed: 1 / 2