SpectraBase Spectrum ID |
6gApOvANiYM |
Name |
Ethyl 3-oxo-2-[3-oxo-3,4-dihydro-2(1H)-quinoxalinylidene]-3-{[(4-methylphenyl)sulfonyl]amino}propanoate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
429.099456512 u |
Formula |
C20H19N3O6S |
InChI |
InChI=1S/C20H19N3O6S/c1-3-29-20(26)16(17-19(25)22-15-7-5-4-6-14(15)21-17)18(24)23-30(27,28)13-10-8-12(2)9-11-13/h4-11,21H,3H2,1-2H3,(H,22,25)(H,23,24)/b17-16+ |
InChIKey |
IYSPTUPMGGPIJR-WUKNDPDISA-N |
Molecular Weight |
429.447 g/mol |
SMILES |
C(\C(=C/1NC=2C=CC=CC2NC1=O)C(=O)OCC)(NS(C=1C=CC(=CC1)C)(=O)=O)=O |