| SpectraBase Spectrum ID |
BcE9SseuyaD |
| Name |
5-Tert-butyl-3-[(2-carboxy-2-cyanovinyl)amino]-2-thiophenecarboxylic acid, 3-ethyl 2-methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.114378302 u |
| Formula |
C16H20N2O4S |
| InChI |
InChI=1S/C16H20N2O4S/c1-6-22-14(19)10(8-17)9-18-11-7-12(16(2,3)4)23-13(11)15(20)21-5/h7,9,18H,6H2,1-5H3 |
| InChIKey |
VNHKFAAYTCXGGC-UHFFFAOYSA-N |
| Molecular Weight |
336.406 g/mol |
| SMILES |
N(C=1C=C(SC1C(=O)OC)C(C)(C)C)C=C(C(OCC)=O)C#N |
![5-Tert-butyl-3-[(2-carboxy-2-cyanovinyl)amino]-2-thiophenecarboxylic acid, 3-ethyl 2-methyl ester](/api/spectrum/BcE9SseuyaD/structure.png?h=300&w=458 "5-Tert-butyl-3-[(2-carboxy-2-cyanovinyl)amino]-2-thiophenecarboxylic acid, 3-ethyl 2-methyl ester")
