| SpectraBase Spectrum ID |
LZn7mWERDaY |
| Name |
Ethyl 4-(4-chlorophenyl)-2-{[(2E)-2-cyano-3-(2-hydroxyphenyl)-2-propenoyl]amino}-3-thiophenecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.059755905 u |
| Formula |
C23H17ClN2O4S |
| InChI |
InChI=1S/C23H17ClN2O4S/c1-2-30-23(29)20-18(14-7-9-17(24)10-8-14)13-31-22(20)26-21(28)16(12-25)11-15-5-3-4-6-19(15)27/h3-11,13,27H,2H2,1H3,(H,26,28)/b16-11+ |
| InChIKey |
KGYMQMMNQRGIDP-LFIBNONCSA-N |
| Molecular Weight |
452.912 g/mol |
| SMILES |
N(C1=C(C(C=2C=CC(=CC2)Cl)=CS1)C(=O)OCC)C(\C(=C\C=1C(=CC=CC1)O)C#N)=O |
![ethyl 4-(4-chlorophenyl)-2-{[(2E)-2-cyano-3-(2-hydroxyphenyl)-2-propenoyl]amino}-3-thiophenecarboxylate](/api/spectrum/LZn7mWERDaY/structure.png?h=300&w=458 "ethyl 4-(4-chlorophenyl)-2-{[(2E)-2-cyano-3-(2-hydroxyphenyl)-2-propenoyl]amino}-3-thiophenecarboxylate")
