| SpectraBase Spectrum ID |
1lPIYsblsYB |
| Name |
Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[B]thiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.166079523 u |
| Formula |
C22H27NO4S |
| InChI |
InChI=1S/C22H27NO4S/c1-3-26-17-13-10-9-11-15(17)20(24)23-21-19(22(25)27-4-2)16-12-7-5-6-8-14-18(16)28-21/h9-11,13H,3-8,12,14H2,1-2H3,(H,23,24) |
| InChIKey |
OQHDSRAXEDGOQG-UHFFFAOYSA-N |
| Molecular Weight |
401.521 g/mol |
| SMILES |
N(C1=C(C=2CCCCCCC2S1)C(=O)OCC)C(C=1C(OCC)=CC=CC1)=O |
![Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[B]thiophene-3-carboxylate](/api/spectrum/1lPIYsblsYB/structure.png?h=300&w=458 "Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[B]thiophene-3-carboxylate")
