| SpectraBase Spectrum ID |
Aj3pPKBZEGo |
| Name |
3-Thiophenecarboxylic acid, 2-[[1,2-dioxo-2-[(3-pyridinylmethyl)amino]ethyl]amino]-4,5-dimethyl-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.093977209 u |
| Formula |
C16H17N3O4S |
| InChI |
InChI=1S/C16H17N3O4S/c1-9-10(2)24-15(12(9)16(22)23-3)19-14(21)13(20)18-8-11-5-4-6-17-7-11/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21) |
| InChIKey |
UUBKPQOYVYZWLC-UHFFFAOYSA-N |
| Molecular Weight |
347.389 g/mol |
| SMILES |
N(C1=C(C(C)=C(S1)C)C(=O)OC)C(C(NCC1=CN=CC=C1)=O)=O |
![3-Thiophenecarboxylic acid, 2-[[1,2-dioxo-2-[(3-pyridinylmethyl)amino]ethyl]amino]-4,5-dimethyl-, methyl ester](/api/spectrum/Aj3pPKBZEGo/structure.png?h=300&w=458 "3-Thiophenecarboxylic acid, 2-[[1,2-dioxo-2-[(3-pyridinylmethyl)amino]ethyl]amino]-4,5-dimethyl-, methyl ester")
