| SpectraBase Spectrum ID |
BW6AQZt6FXv |
| Name |
2-{[p-(1,3-Dithiolan-2-yl)phenoxy]methyl}-4-thiazoleacetic acid, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.052706995 u |
| Formula |
C17H19NO3S3 |
| InChI |
InChI=1S/C17H19NO3S3/c1-2-20-16(19)9-13-11-24-15(18-13)10-21-14-5-3-12(4-6-14)17-22-7-8-23-17/h3-6,11,17H,2,7-10H2,1H3 |
| InChIKey |
STZCABDGGGQCST-UHFFFAOYSA-N |
| Molecular Weight |
381.523 g/mol |
| SMILES |
C=1C(=CC=C(C1)OCC=1SC=C(N1)CC(OCC)=O)C1SCCS1 |
![2-{[p-(1,3-Dithiolan-2-yl)phenoxy]methyl}-4-thiazoleacetic acid, ethyl ester](/api/spectrum/BW6AQZt6FXv/structure.png?h=300&w=458 "2-{[p-(1,3-Dithiolan-2-yl)phenoxy]methyl}-4-thiazoleacetic acid, ethyl ester")
