| SpectraBase Spectrum ID |
KbjV8yzcXk3 |
| Name |
Diethyl 5-[(coumarin-3-ylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.088223123 u |
| Formula |
C21H19NO7S |
| InChI |
InChI=1S/C21H19NO7S/c1-4-27-20(25)15-11(3)16(21(26)28-5-2)30-18(15)22-17(23)13-10-12-8-6-7-9-14(12)29-19(13)24/h6-10H,4-5H2,1-3H3,(H,22,23) |
| InChIKey |
LTMRFRRUGRYBPO-UHFFFAOYSA-N |
| Molecular Weight |
429.443 g/mol |
| SMILES |
C1(=C(C(=O)OCC)C(C)=C(S1)C(=O)OCC)NC(C=1C(OC=2C(C1)=CC=CC2)=O)=O |
![Diethyl 5-[(coumarin-3-ylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate](/api/spectrum/KbjV8yzcXk3/structure.png?h=300&w=458 "Diethyl 5-[(coumarin-3-ylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate")
