| SpectraBase Spectrum ID |
9jLVWdCaw9F |
| Name |
Methyl 2-[(4-bromobenzoyl)amino]-6-tert-pentyl-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 |
463.081677872 u |
| Formula |
C22H26BrNO3S |
| InChI |
InChI=1S/C22H26BrNO3S/c1-5-22(2,3)14-8-11-16-17(12-14)28-20(18(16)21(26)27-4)24-19(25)13-6-9-15(23)10-7-13/h6-7,9-10,14H,5,8,11-12H2,1-4H3,(H,24,25) |
| InChIKey |
IMCAXQHVYKBMSS-UHFFFAOYSA-N |
| Molecular Weight |
464.418 g/mol |
| SMILES |
N(C1=C(C=2CCC(CC2S1)C(CC)(C)C)C(=O)OC)C(C1=CC=C(C=C1)Br)=O |
![Methyl 2-[(4-bromobenzoyl)amino]-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/9jLVWdCaw9F/structure.png?h=300&w=458 "Methyl 2-[(4-bromobenzoyl)amino]-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
