| SpectraBase Spectrum ID |
dwQpWsDX3c |
| Name |
Ethyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-ethyl-5-methyl-3-thiophenecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.091056034 u |
| Formula |
C21H21ClN2O4S |
| InChI |
InChI=1S/C21H21ClN2O4S/c1-5-13-12(4)29-20(17(13)21(26)27-6-2)23-19(25)16-11(3)28-24-18(16)14-9-7-8-10-15(14)22/h7-10H,5-6H2,1-4H3,(H,23,25) |
| InChIKey |
PQQNHGQQRAXXLM-UHFFFAOYSA-N |
| Molecular Weight |
432.922 g/mol |
| SMILES |
N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C1=C(C(CC)=C(S1)C)C(=O)OCC |
![Ethyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-ethyl-5-methyl-3-thiophenecarboxylate](/api/spectrum/dwQpWsDX3c/structure.png?h=300&w=458 "Ethyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-ethyl-5-methyl-3-thiophenecarboxylate")
