| SpectraBase Spectrum ID |
HFQjoE6Y2VI |
| Name |
2,2A,3,4-Tetrahydro-2-benzyloxy-2A-methylthio-1H-azeto[2,1-D][1,5]benzothiazepin-1-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.085721202 u |
| Formula |
C19H19NO2S2 |
| InChI |
InChI=1S/C19H19NO2S2/c1-23-19-11-12-24-16-10-6-5-9-15(16)20(19)18(21)17(19)22-13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3 |
| InChIKey |
RQDZBKBTNFQQJH-UHFFFAOYSA-N |
| Molecular Weight |
357.486 g/mol |
| Nominal Mass |
357 u |
| SMILES |
C12(N(C=3C(SCC2)=CC=CC3)C(C1OCC=1C=CC=CC1)=O)SC |
![2,2a,3,4-Tetrahydro-2-benzyloxy-2a-methylthio-1H-azeto[2,1-d][1,5]benzothiazepin-1-one](/api/spectrum/HFQjoE6Y2VI/structure.png?h=300&w=458 "2,2a,3,4-Tetrahydro-2-benzyloxy-2a-methylthio-1H-azeto[2,1-d][1,5]benzothiazepin-1-one")
