| SpectraBase Spectrum ID |
JrV1JvifgOG |
| Name |
Methyl 2,5-dihydro-4-methyl-2-oxo-5-[(thien-2'-yl)methylidene]-1H-pyrrole-3-propanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.077264518 u |
| Formula |
C14H15NO3S |
| InChI |
InChI=1S/C14H15NO3S/c1-9-11(5-6-13(16)18-2)14(17)15-12(9)8-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)/b12-8- |
| InChIKey |
XHFRLMZAPLFEOQ-WQLSENKSSA-N |
| Molecular Weight |
277.338 g/mol |
| SMILES |
C1(N\C(C(=C1CCC(=O)OC)C)=C\C=1SC=CC1)=O |