| SpectraBase Spectrum ID |
RpWcL1Mcew |
| Name |
Ethyl 2-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-6-ethyl-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/c1-4-13-6-8-15-18(10-13)30-21(19(15)22(27)28-5-2)25-20(26)12(3)29-17-9-7-14(23)11-16(17)24/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,25,26) |
| InChIKey |
QEQFJBJDVRSDJR-UHFFFAOYSA-N |
| Molecular Weight |
470.411 g/mol |
| SMILES |
N(C1=C(C=2CCC(CC2S1)CC)C(=O)OCC)C(C(OC1=C(C=C(C=C1)Cl)Cl)C)=O |
![Ethyl 2-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/RpWcL1Mcew/structure.png?h=300&w=458 "Ethyl 2-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
