| SpectraBase Spectrum ID |
DPjmFB5rMol |
| Name |
(Z)-2-Acetamido-3-(1-tosylindol-4-yl)acrylic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.109292921 u |
| Formula |
C21H20N2O5S |
| InChI |
InChI=1S/C21H20N2O5S/c1-14-7-9-17(10-8-14)29(26,27)23-12-11-18-16(5-4-6-20(18)23)13-19(21(25)28-3)22-15(2)24/h4-13H,1-3H3,(H,22,24)/b19-13- |
| InChIKey |
LFZBKIDHIGWCQF-UYRXBGFRSA-N |
| Molecular Weight |
412.460 g/mol |
| SMILES |
C=12N(S(C3=CC=C(C=C3)C)(=O)=O)C=CC1C(\C=C\(C(=O)OC)NC(=O)C)=CC=C2 |
