| SpectraBase Spectrum ID |
AJBjI4G1aAe |
| Name |
2-Methyl 4-propyl 5-{[(3,4-dimethylphenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.140258697 u |
| Formula |
C21H25NO6S |
| InChI |
InChI=1S/C21H25NO6S/c1-6-9-27-20(24)17-14(4)18(21(25)26-5)29-19(17)22-16(23)11-28-15-8-7-12(2)13(3)10-15/h7-8,10H,6,9,11H2,1-5H3,(H,22,23) |
| InChIKey |
HFLSKYOQIZBQAS-UHFFFAOYSA-N |
| Molecular Weight |
419.492 g/mol |
| SMILES |
N(C1=C(C(C)=C(S1)C(=O)OC)C(=O)OCCC)C(=O)COC1=CC(C)=C(C=C1)C |
![2-Methyl 4-propyl 5-{[(3,4-dimethylphenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate](/api/spectrum/AJBjI4G1aAe/structure.png?h=300&w=458 "2-Methyl 4-propyl 5-{[(3,4-dimethylphenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate")
