| SpectraBase Spectrum ID |
8WZYeoMPfl0 |
| Name |
(E)-3-(1-Benzenesulfonyl-2-cyanomethyl-2,3-dihydro-1H-indol-3-yl)-acrylic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.098728238 u |
| Formula |
C21H18N2O4S |
| InChI |
InChI=1S/C21H18N2O4S/c1-2-27-21(24)13-12-18-17-10-6-7-11-19(17)23(20(18)14-15-22)28(25,26)16-8-4-3-5-9-16/h3-13H,2,14H2,1H3/b13-12+ |
| InChIKey |
FLFWLONYAJKROD-OUKQBFOZSA-N |
| Molecular Weight |
394.445 g/mol |
| SMILES |
C=1(S(N2C(=C(\C=C\C(=O)OCC)C=3C2=CC=CC3)CC#N)(=O)=O)C=CC=CC1 |
