| SpectraBase Spectrum ID |
IX8nLT7PuPn |
| Name |
Diethyl 5-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.076278714 u |
| Formula |
C20H20N2O6S2 |
| InChI |
InChI=1S/C20H20N2O6S2/c1-4-26-18(24)15-11(3)16(19(25)27-5-2)30-17(15)22-14(23)10-29-20-21-12-8-6-7-9-13(12)28-20/h6-9H,4-5,10H2,1-3H3,(H,22,23) |
| InChIKey |
DUMKCVUYBKUAKM-UHFFFAOYSA-N |
| Molecular Weight |
448.508 g/mol |
| SMILES |
N(C1=C(C(C)=C(S1)C(=O)OCC)C(=O)OCC)C(=O)CSC1=NC2=CC=CC=C2O1 |
![Diethyl 5-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate](/api/spectrum/IX8nLT7PuPn/structure.png?h=300&w=458 "Diethyl 5-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate")
