| SpectraBase Spectrum ID |
AaXgIAMpawQ |
| Name |
Propyl 2-[(anilinocarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.150763812 u |
| Formula |
C20H24N2O3S |
| InChI |
InChI=1S/C20H24N2O3S/c1-2-13-25-19(23)17-15-11-7-4-8-12-16(15)26-18(17)22-20(24)21-14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H2,21,22,24) |
| InChIKey |
XPGMTUGIDFWYCB-UHFFFAOYSA-N |
| Molecular Weight |
372.483 g/mol |
| SMILES |
N(C1=C(C=2CCCCCC2S1)C(=O)OCCC)C(NC1=CC=CC=C1)=O |
![propyl 2-[(anilinocarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/AaXgIAMpawQ/structure.png?h=300&w=458 "propyl 2-[(anilinocarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
