| SpectraBase Spectrum ID |
EftiIFWXWJy |
| Name |
4-{[4-(4-Tert-butylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.129694014 u |
| Formula |
C20H23NO5S |
| InChI |
InChI=1S/C20H23NO5S/c1-20(2,3)13-7-5-12(6-8-13)14-11-27-18(17(14)19(25)26-4)21-15(22)9-10-16(23)24/h5-8,11H,9-10H2,1-4H3,(H,21,22)(H,23,24) |
| InChIKey |
LJCHHCWBXROKJZ-UHFFFAOYSA-N |
| Molecular Weight |
389.466 g/mol |
| SMILES |
N(C1=C(C(=CS1)C1=CC=C(C(C)(C)C)C=C1)C(=O)OC)C(CCC(=O)O)=O |
![4-{[4-(4-Tert-butylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid](/api/spectrum/EftiIFWXWJy/structure.png?h=300&w=458 "4-{[4-(4-Tert-butylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid")
