| SpectraBase Spectrum ID |
3SPwH0ugL8x |
| Name |
3-Thiophenecarboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-4-(4-methylphenyl)-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.145344078 u |
| Formula |
C22H25NO5S |
| InChI |
InChI=1S/C22H25NO5S/c1-3-28-22(27)18-17(14-10-8-13(2)9-11-14)12-29-20(18)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-12,15-16H,3-7H2,1-2H3,(H,23,24)(H,25,26) |
| InChIKey |
ANRGOALEWVPWRX-UHFFFAOYSA-N |
| Molecular Weight |
415.504 g/mol |
| SMILES |
N(C1=C(C(C2=CC=C(C=C2)C)=CS1)C(=O)OCC)C(C1C(C(=O)O)CCCC1)=O |
![3-Thiophenecarboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-4-(4-methylphenyl)-, ethyl ester](/api/spectrum/3SPwH0ugL8x/structure.png?h=300&w=458 "3-Thiophenecarboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-4-(4-methylphenyl)-, ethyl ester")
