| SpectraBase Spectrum ID |
C8AFmpAe7NG |
| Name |
Benzyl [(3-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-cyano-5-isothiazolyl)sulfanyl]acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.042870586 u |
| Formula |
C22H18N2O4S3 |
| InChI |
InChI=1S/C22H18N2O4S3/c23-11-18-21(29-14-19(25)27-12-16-7-3-1-4-8-16)24-31-22(18)30-15-20(26)28-13-17-9-5-2-6-10-17/h1-10H,12-15H2 |
| InChIKey |
FESKORARFOGMKM-UHFFFAOYSA-N |
| Molecular Weight |
470.576 g/mol |
| SMILES |
C1(=C(SN=C1SCC(=O)OCC=1C=CC=CC1)SCC(=O)OCC=1C=CC=CC1)C#N |
![Benzyl [(3-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-cyano-5-isothiazolyl)sulfanyl]acetate](/api/spectrum/C8AFmpAe7NG/structure.png?h=300&w=458 "Benzyl [(3-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-cyano-5-isothiazolyl)sulfanyl]acetate")
