| SpectraBase Spectrum ID |
JbN1NF7C2xc |
| Name |
Diethyl 5-{[2-(3-chlorophenoxy)propanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.085636300 u |
| Formula |
C20H22ClNO6S |
| InChI |
InChI=1S/C20H22ClNO6S/c1-5-26-19(24)15-11(3)16(20(25)27-6-2)29-18(15)22-17(23)12(4)28-14-9-7-8-13(21)10-14/h7-10,12H,5-6H2,1-4H3,(H,22,23) |
| InChIKey |
XGTRSIQXUPAWSV-UHFFFAOYSA-N |
| Molecular Weight |
439.910 g/mol |
| SMILES |
N(C1=C(C(C)=C(S1)C(=O)OCC)C(=O)OCC)C(C(OC=1C=C(Cl)C=CC1)C)=O |
![Diethyl 5-{[2-(3-chlorophenoxy)propanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate](/api/spectrum/JbN1NF7C2xc/structure.png?h=300&w=458 "Diethyl 5-{[2-(3-chlorophenoxy)propanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate")
