| SpectraBase Spectrum ID |
AkYTj3JAA2X |
| Name |
Ethyl 2-{[2-(3,4-dimethylphenoxy)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 |
415.181729588 u |
| Formula |
C23H29NO4S |
| InChI |
InChI=1S/C23H29NO4S/c1-5-18(28-16-12-11-14(3)15(4)13-16)21(25)24-22-20(23(26)27-6-2)17-9-7-8-10-19(17)29-22/h11-13,18H,5-10H2,1-4H3,(H,24,25) |
| InChIKey |
NUTAPOCPXHODQP-UHFFFAOYSA-N |
| Molecular Weight |
415.548 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(C(OC1=CC(C)=C(C=C1)C)CC)=O |
![Ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/AkYTj3JAA2X/structure.png?h=300&w=458 "Ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
