| SpectraBase Spectrum ID |
5WAOMmwCPCG |
| Name |
5-(Diethylcarbamoyl)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.171893179 u |
| Formula |
C22H28N2O5S |
| InChI |
InChI=1S/C22H28N2O5S/c1-6-24(7-2)21(26)19-15(5)18(22(27)28-8-3)20(30-19)23-17(25)13-29-16-12-10-9-11-14(16)4/h9-12H,6-8,13H2,1-5H3,(H,23,25) |
| InChIKey |
ZBVCYIRYQOIMJD-UHFFFAOYSA-N |
| Molecular Weight |
432.535 g/mol |
| SMILES |
C1(=C(C(C(=O)OCC)=C(S1)NC(=O)COC=1C(C)=CC=CC1)C)C(N(CC)CC)=O |
![5-(Diethylcarbamoyl)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester](/api/spectrum/5WAOMmwCPCG/structure.png?h=300&w=458 "5-(Diethylcarbamoyl)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester")
