| SpectraBase Spectrum ID |
3SwqR4lDxh4 |
| Name |
4-[(3-Benzo[1,3]dioxol-5-ylmethyl-4-oxo-2-phenylimino-[1,3]thiazinane-6-carbonyl)-amino]-benzoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
517.130756641 u |
| Formula |
C27H23N3O6S |
| InChI |
InChI=1S/C27H23N3O6S/c1-34-26(33)18-8-10-20(11-9-18)28-25(32)23-14-24(31)30(27(37-23)29-19-5-3-2-4-6-19)15-17-7-12-21-22(13-17)36-16-35-21/h2-13,23H,14-16H2,1H3,(H,28,32)/b29-27+ |
| InChIKey |
SOUFJIBGWQLMNJ-ORIPQNMZSA-N |
| Molecular Weight |
517.556 g/mol |
| SMILES |
C1=CC=C(\N=C/2N(C(CC(C(NC3=CC=C(C(=O)OC)C=C3)=O)S2)=O)CC2=CC=3OCOC3C=C2)C=C1 |
![4-[(3-Benzo[1,3]dioxol-5-ylmethyl-4-oxo-2-phenylimino-[1,3]thiazinane-6-carbonyl)-amino]-benzoic acid methyl ester](/api/spectrum/3SwqR4lDxh4/structure.png?h=300&w=458 "4-[(3-Benzo[1,3]dioxol-5-ylmethyl-4-oxo-2-phenylimino-[1,3]thiazinane-6-carbonyl)-amino]-benzoic acid methyl ester")
