| SpectraBase Spectrum ID |
4k0VB3t9720 |
| Name |
Ethyl 2-{[5-(4-bromophenyl)-2-furoyl]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 |
473.029642298 u |
| Formula |
C22H20BrNO4S |
| InChI |
InChI=1S/C22H20BrNO4S/c1-2-27-22(26)19-15-5-3-4-6-18(15)29-21(19)24-20(25)17-12-11-16(28-17)13-7-9-14(23)10-8-13/h7-12H,2-6H2,1H3,(H,24,25) |
| InChIKey |
RYMRPAFHVGUNCK-UHFFFAOYSA-N |
| Molecular Weight |
474.369 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(C=1OC(C=2C=CC(=CC2)Br)=CC1)=O |
![Ethyl 2-{[5-(4-bromophenyl)-2-furoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/4k0VB3t9720/structure.png?h=300&w=458 "Ethyl 2-{[5-(4-bromophenyl)-2-furoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
