| SpectraBase Spectrum ID |
Cafn4QANOgD |
| Name |
Propyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.088134859 u |
| Formula |
C22H25Cl2NO4S |
| InChI |
InChI=1S/C22H25Cl2NO4S/c1-2-11-29-22(27)20-15-6-3-4-7-18(15)30-21(20)25-19(26)8-5-12-28-17-10-9-14(23)13-16(17)24/h9-10,13H,2-8,11-12H2,1H3,(H,25,26) |
| InChIKey |
QYMFYISENDEYFC-UHFFFAOYSA-N |
| Molecular Weight |
470.411 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OCCC)C(=O)CCCOC=1C(=CC(=CC1)Cl)Cl |
![Propyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/Cafn4QANOgD/structure.png?h=300&w=458 "Propyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
