| SpectraBase Spectrum ID |
2LkOXDPdpSP |
| Name |
Ethyl (2E)-2-({5-[4-(ethoxycarbonyl)phenyl]-2-furyl}methylene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.151157733 u |
| Formula |
C30H26N2O6S |
| InChI |
InChI=1S/C30H26N2O6S/c1-4-36-28(34)21-13-11-19(12-14-21)23-16-15-22(38-23)17-24-27(33)32-26(20-9-7-6-8-10-20)25(29(35)37-5-2)18(3)31-30(32)39-24/h6-17,26H,4-5H2,1-3H3/b24-17+ |
| InChIKey |
NKMIMKYVVHCKBO-JJIBRWJFSA-N |
| Molecular Weight |
542.606 g/mol |
| SMILES |
C=1C=CC(C2C(=C(C)N=C3N2C(\C(=C/C=2OC(C4=CC=C(C(=O)OCC)C=C4)=CC2)S3)=O)C(=O)OCC)=CC1 |
![ethyl (2E)-2-({5-[4-(ethoxycarbonyl)phenyl]-2-furyl}methylene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate](/api/spectrum/2LkOXDPdpSP/structure.png?h=300&w=458 "ethyl (2E)-2-({5-[4-(ethoxycarbonyl)phenyl]-2-furyl}methylene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate")
