| SpectraBase Spectrum ID |
1g2qEsmQWbf |
| Name |
4-Ethyl 2-methyl 3-methyl-5-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-2,4-thiophenedicarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.104207540 u |
| Formula |
C21H20N2O6S |
| InChI |
InChI=1S/C21H20N2O6S/c1-5-28-20(25)14-11(2)17(21(26)27-4)30-19(14)22-18(24)15-12(3)29-23-16(15)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3,(H,22,24) |
| InChIKey |
BUOCCADPFZVKHN-UHFFFAOYSA-N |
| Molecular Weight |
428.459 g/mol |
| SMILES |
N(C1=C(C(=C(C(=O)OC)S1)C)C(=O)OCC)C(C=1C(=NOC1C)C1=CC=CC=C1)=O |
![4-Ethyl 2-methyl 3-methyl-5-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-2,4-thiophenedicarboxylate](/api/spectrum/1g2qEsmQWbf/structure.png?h=300&w=458 "4-Ethyl 2-methyl 3-methyl-5-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-2,4-thiophenedicarboxylate")
