| SpectraBase Spectrum ID |
AKZjDesB6u7 |
| Name |
5-[[2-(4-Chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.101286365 u |
| Formula |
C21H24ClNO6S |
| InChI |
InChI=1S/C21H24ClNO6S/c1-6-27-20(25)16-13(5)18(21(26)28-7-2)30-19(16)23-15(24)10-29-14-8-11(3)17(22)12(4)9-14/h8-9H,6-7,10H2,1-5H3,(H,23,24) |
| InChIKey |
XICDOXYVMHKAMP-UHFFFAOYSA-N |
| Molecular Weight |
453.937 g/mol |
| SMILES |
C1(=C(C(C)=C(S1)C(=O)OCC)C(=O)OCC)NC(=O)COC=1C=C(C)C(=C(C1)C)Cl |
![5-[[2-(4-Chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester](/api/spectrum/AKZjDesB6u7/structure.png?h=300&w=458 "5-[[2-(4-Chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester")
