| SpectraBase Spectrum ID |
9zomSnWR98g |
| Name |
Isopropyl 2-[(3,5-dimethoxybenzoyl)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 |
417.160994142 u |
| Formula |
C22H27NO5S |
| InChI |
InChI=1S/C22H27NO5S/c1-13(2)28-22(25)19-17-8-6-5-7-9-18(17)29-21(19)23-20(24)14-10-15(26-3)12-16(11-14)27-4/h10-13H,5-9H2,1-4H3,(H,23,24) |
| InChIKey |
OCSORCTXVZYXPN-UHFFFAOYSA-N |
| Molecular Weight |
417.520 g/mol |
| SMILES |
N(C1=C(C(OC(C)C)=O)C2=C(CCCCC2)S1)C(C=1C=C(OC)C=C(C1)OC)=O |
![isopropyl 2-[(3,5-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/9zomSnWR98g/structure.png?h=300&w=458 "isopropyl 2-[(3,5-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
