| SpectraBase Spectrum ID |
40Cjz6SVQB5 |
| Name |
4-({[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.115106576 u |
| Formula |
C26H21N3O6S |
| InChI |
InChI=1S/C26H21N3O6S/c30-23-13-22(24(31)27-19-9-7-17(8-10-19)25(32)33)36-26(28-18-4-2-1-3-5-18)29(23)14-16-6-11-20-21(12-16)35-15-34-20/h1-12,22H,13-15H2,(H,27,31)(H,32,33)/b28-26- |
| InChIKey |
NXZZAWANMIORKB-SGEDCAFJSA-N |
| Molecular Weight |
503.529 g/mol |
| SMILES |
N(C(C1CC(N(\C(S1)=N\C1=CC=CC=C1)CC=1C=C2OCOC2=CC1)=O)=O)C1=CC=C(C(=O)O)C=C1 |
![4-({[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid](/api/spectrum/40Cjz6SVQB5/structure.png?h=300&w=458 "4-({[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid")
