| SpectraBase Spectrum ID |
Aymll1K5p0j |
| Name |
4H-Cyclopenta[B]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[(2E)-1-oxo-3-phenyl-2-propenyl]amino]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.092914582 u |
| Formula |
C18H17NO3S |
| InChI |
InChI=1S/C18H17NO3S/c1-22-18(21)16-13-8-5-9-14(13)23-17(16)19-15(20)11-10-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20)/b11-10+ |
| InChIKey |
SXIXREYSWSWKRU-ZHACJKMWSA-N |
| SMILES |
N(C1=C(C=2CCCC2S1)C(=O)OC)C(\C=C\C=1C=CC=CC1)=O |
![4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[(2E)-1-oxo-3-phenyl-2-propenyl]amino]-, methyl ester](/api/spectrum/Aymll1K5p0j/structure.png?h=300&w=458 "4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[(2E)-1-oxo-3-phenyl-2-propenyl]amino]-, methyl ester")
