| SpectraBase Spectrum ID |
IOvaTsQnliv |
| Name |
4-{[4-(4-Tert-butylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxobutanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.160994142 u |
| Formula |
C22H27NO5S |
| InChI |
InChI=1S/C22H27NO5S/c1-6-28-21(27)19-18(14-7-9-15(10-8-14)22(3,4)5)13(2)29-20(19)23-16(24)11-12-17(25)26/h7-10H,6,11-12H2,1-5H3,(H,23,24)(H,25,26) |
| InChIKey |
WOTVOXOQEDYVLF-UHFFFAOYSA-N |
| Molecular Weight |
417.520 g/mol |
| SMILES |
N(C1=C(C(C=2C=CC(C(C)(C)C)=CC2)=C(S1)C)C(=O)OCC)C(CCC(=O)O)=O |
![4-{[4-(4-Tert-butylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxobutanoic acid](/api/spectrum/IOvaTsQnliv/structure.png?h=300&w=458 "4-{[4-(4-Tert-butylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxobutanoic acid")
