| SpectraBase Spectrum ID |
5rjGS5aDH4e |
| Name |
Ethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}-4-(4-fluorophenyl)-3-thiophenecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.070735129 u |
| Formula |
C22H19ClFNO4S |
| InChI |
InChI=1S/C22H19ClFNO4S/c1-3-28-22(27)20-17(14-4-7-16(24)8-5-14)12-30-21(20)25-19(26)11-29-18-9-6-15(23)10-13(18)2/h4-10,12H,3,11H2,1-2H3,(H,25,26) |
| InChIKey |
TTWISJANGKLYOD-UHFFFAOYSA-N |
| Molecular Weight |
447.908 g/mol |
| SMILES |
N(C1=C(C(=CS1)C=1C=CC(F)=CC1)C(=O)OCC)C(=O)COC=1C(=CC(=CC1)Cl)C |
![Ethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}-4-(4-fluorophenyl)-3-thiophenecarboxylate](/api/spectrum/5rjGS5aDH4e/structure.png?h=300&w=458 "Ethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}-4-(4-fluorophenyl)-3-thiophenecarboxylate")
