| SpectraBase Spectrum ID |
JG4OK0SPQqz |
| Name |
Propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.186814969 u |
| Formula |
C28H29NO3S |
| InChI |
InChI=1S/C28H29NO3S/c1-2-15-32-28(31)25-21-14-13-20(18-9-5-3-6-10-18)16-24(21)33-27(25)29-26(30)23-17-22(23)19-11-7-4-8-12-19/h3-12,20,22-23H,2,13-17H2,1H3,(H,29,30) |
| InChIKey |
USNGRHCTNMXYBY-UHFFFAOYSA-N |
| Molecular Weight |
459.604 g/mol |
| SMILES |
N(C1=C(C2=C(CC(CC2)C2=CC=CC=C2)S1)C(=O)OCCC)C(C1C(C2=CC=CC=C2)C1)=O |
![Propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/JG4OK0SPQqz/structure.png?h=300&w=458 "Propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
