| SpectraBase Spectrum ID |
LErYaT2GweO |
| Name |
2-(p-Acetamidobenzylidene)-7-(p-avetamidophenyl)-5-amino-2,3-dihydro-3-oxo-7H-thaizolo[32,-A]pyridine-6,8-dicarboxylic acid, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.152220360 u |
| Formula |
C28H26N4O7S |
| InChI |
InChI=1S/C28H26N4O7S/c1-14(33)30-18-9-5-16(6-10-18)13-20-25(35)32-24(29)22(27(36)38-3)21(23(26(32)40-20)28(37)39-4)17-7-11-19(12-8-17)31-15(2)34/h5-13,21H,29H2,1-4H3,(H,30,33)(H,31,34) |
| InChIKey |
FBZIPNKUAVCPDL-UHFFFAOYSA-N |
| Molecular Weight |
562.597 g/mol |
| SMILES |
N(C1=CC=C(C2C(=C3SC(=CC=4C=CC(=CC4)NC(=O)C)C(N3C(=C2C(OC)=O)N)=O)C(OC)=O)C=C1)C(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.842823 |
![2-(p-acetamidobenzylidene)-7-(p-avetamidophenyl)-5-amino-2,3-dihydro-3-oxo-7H-thaizolo[32,-a]pyridine-6,8-dicarboxylic acid, dimethyl ester](/api/spectrum/LErYaT2GweO/structure.png?h=300&w=458 "2-(p-acetamidobenzylidene)-7-(p-avetamidophenyl)-5-amino-2,3-dihydro-3-oxo-7H-thaizolo[32,-a]pyridine-6,8-dicarboxylic acid, dimethyl ester")
