| SpectraBase Spectrum ID |
Fs17w7AZ1jV |
| Name |
2-Chloro-1-(chloromethyl)ethyl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.036433638 u |
| Formula |
C16H18Cl2N2O4S |
| InChI |
InChI=1S/C16H18Cl2N2O4S/c1-23-10-5-6-12-13(7-10)25-16(19-12)20-14(21)3-2-4-15(22)24-11(8-17)9-18/h5-7,11H,2-4,8-9H2,1H3,(H,19,20,21) |
| InChIKey |
OJWACBRKGCFSTJ-UHFFFAOYSA-N |
| Molecular Weight |
405.296 g/mol |
| SMILES |
N(C1=NC=2C=CC(=CC2S1)OC)C(=O)CCCC(OC(CCl)CCl)=O |
![2-Chloro-1-(chloromethyl)ethyl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate](/api/spectrum/Fs17w7AZ1jV/structure.png?h=300&w=458 "2-Chloro-1-(chloromethyl)ethyl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate")
