| SpectraBase Spectrum ID |
94TqK9aICnA |
| Name |
5-Acetyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.090721681 u |
| Formula |
C20H22ClNO5S |
| InChI |
InChI=1S/C20H22ClNO5S/c1-6-26-20(25)16-12(4)18(13(5)23)28-19(16)22-15(24)9-27-14-7-10(2)17(21)11(3)8-14/h7-8H,6,9H2,1-5H3,(H,22,24) |
| InChIKey |
DAWWRKHGNDPKAZ-UHFFFAOYSA-N |
| Molecular Weight |
423.911 g/mol |
| SMILES |
C1(=C(C(C)=C(S1)C(=O)C)C(=O)OCC)NC(=O)COC1=CC(C)=C(C(=C1)C)Cl |
![5-Acetyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester](/api/spectrum/94TqK9aICnA/structure.png?h=300&w=458 "5-Acetyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester")
