| SpectraBase Spectrum ID |
IegCJ2Qp8f2 |
| Name |
Ethyl 2-[(2,6-dichlorobenzoyl)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 |
425.061920111 u |
| Formula |
C20H21Cl2NO3S |
| InChI |
InChI=1S/C20H21Cl2NO3S/c1-2-26-20(25)16-12-8-5-3-4-6-11-15(12)27-19(16)23-18(24)17-13(21)9-7-10-14(17)22/h7,9-10H,2-6,8,11H2,1H3,(H,23,24) |
| InChIKey |
BGODKEFQUAUFLP-UHFFFAOYSA-N |
| Molecular Weight |
426.358 g/mol |
| SMILES |
N(C(C1=C(Cl)C=CC=C1Cl)=O)C1=C(C=2CCCCCCC2S1)C(=O)OCC |
![Ethyl 2-[(2,6-dichlorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[B]thiophene-3-carboxylate](/api/spectrum/IegCJ2Qp8f2/structure.png?h=300&w=458 "Ethyl 2-[(2,6-dichlorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[B]thiophene-3-carboxylate")
