| SpectraBase Spectrum ID |
3fsjj1rL8qs |
| Name |
Methyl 6-tert-butyl-2-{[(4-methoxyphenyl)acetyl]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/c1-23(2,3)15-8-11-17-18(13-15)29-21(20(17)22(26)28-5)24-19(25)12-14-6-9-16(27-4)10-7-14/h6-7,9-10,15H,8,11-13H2,1-5H3,(H,24,25) |
| InChIKey |
YZNIKPGSBQTWAR-UHFFFAOYSA-N |
| Molecular Weight |
415.548 g/mol |
| SMILES |
N(C1=C(C=2CCC(CC2S1)C(C)(C)C)C(=O)OC)C(=O)CC1=CC=C(OC)C=C1 |
![Methyl 6-tert-butyl-2-{[(4-methoxyphenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/3fsjj1rL8qs/structure.png?h=300&w=458 "Methyl 6-tert-butyl-2-{[(4-methoxyphenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
