| SpectraBase Spectrum ID |
CAxWiMrwVwA |
| Name |
4-Methyl-2-{[(2-pyridyl)sulfonyl]methyl}-5-thiazolecarboxylic acid, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.039499283 u |
| Formula |
C13H14N2O4S2 |
| InChI |
InChI=1S/C13H14N2O4S2/c1-3-19-13(16)12-9(2)15-10(20-12)8-21(17,18)11-6-4-5-7-14-11/h4-7H,3,8H2,1-2H3 |
| InChIKey |
KVGOXZBUYVSKQA-UHFFFAOYSA-N |
| Molecular Weight |
326.385 g/mol |
| SMILES |
C1=NC(=CC=C1)S(=O)(=O)CC1=NC(=C(S1)C(OCC)=O)C |
![4-Methyl-2-{[(2-pyridyl)sulfonyl]methyl}-5-thiazolecarboxylic acid, ethyl ester](/api/spectrum/CAxWiMrwVwA/structure.png?h=300&w=458 "4-Methyl-2-{[(2-pyridyl)sulfonyl]methyl}-5-thiazolecarboxylic acid, ethyl ester")
