| SpectraBase Spectrum ID |
GlQFmhfqfm1 |
| Name |
Benzo[B]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.161743035 u |
| Formula |
C22H26FNO3S |
| InChI |
InChI=1S/C22H26FNO3S/c1-5-27-21(26)18-16-10-9-14(22(2,3)4)12-17(16)28-20(18)24-19(25)13-7-6-8-15(23)11-13/h6-8,11,14H,5,9-10,12H2,1-4H3,(H,24,25) |
| InChIKey |
RVXMMWMYZHIGOY-UHFFFAOYSA-N |
| Molecular Weight |
403.512 g/mol |
| SMILES |
N(C1=C(C=2CCC(CC2S1)C(C)(C)C)C(=O)OCC)C(C=1C=C(F)C=CC1)=O |
![Benzo[B]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-, ethyl ester](/api/spectrum/GlQFmhfqfm1/structure.png?h=300&w=458 "Benzo[B]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-, ethyl ester")
