| SpectraBase Spectrum ID |
7th5QWgyKnQ |
| Name |
Pentanoic acid, 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxo-, 4-(1,1-dimethylethyl)cyclohexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.229014134 u |
| Formula |
C24H34N2O3S |
| InChI |
InChI=1S/C24H34N2O3S/c1-24(2,3)16-11-13-17(14-12-16)29-22(28)10-6-9-21(27)26-23-19(15-25)18-7-4-5-8-20(18)30-23/h16-17H,4-14H2,1-3H3,(H,26,27) |
| InChIKey |
GUYBZSDNFAZOAG-UHFFFAOYSA-N |
| Molecular Weight |
430.607 g/mol |
| SMILES |
C(CC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC(=O)OC1CCC(CC1)C(C)(C)C |
![Pentanoic acid, 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxo-, 4-(1,1-dimethylethyl)cyclohexyl ester](/api/spectrum/7th5QWgyKnQ/structure.png?h=300&w=458 "Pentanoic acid, 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxo-, 4-(1,1-dimethylethyl)cyclohexyl ester")
