| SpectraBase Spectrum ID |
7dj7Pw6KrsO |
| Name |
(5E)-5-[4-[[(2S)-1-(2-pyridyl)pyrrolidin-2-yl]methoxy]benzylidene]thiazolidine-2,4-quinone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.114712655 u |
| Formula |
C20H19N3O3S |
| InChI |
InChI=1S/C20H19N3O3S/c24-19-17(27-20(25)22-19)12-14-6-8-16(9-7-14)26-13-15-4-3-11-23(15)18-5-1-2-10-21-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,22,24,25)/b17-12+/t15-/m0/s1 |
| InChIKey |
GRLCJTHTWOJWJS-YSKWHIJTSA-N |
| Molecular Weight |
381.450 g/mol |
| SMILES |
C1(NC(\C(S1)=C/C1=CC=C(OC[C@]2(N(C3=NC=CC=C3)CCC2)[H])C=C1)=O)=O |
![(5E)-5-[4-[[(2S)-1-(2-pyridyl)pyrrolidin-2-yl]methoxy]benzylidene]thiazolidine-2,4-quinone](/api/spectrum/7dj7Pw6KrsO/structure.png?h=300&w=458 "(5E)-5-[4-[[(2S)-1-(2-pyridyl)pyrrolidin-2-yl]methoxy]benzylidene]thiazolidine-2,4-quinone")
