| SpectraBase Spectrum ID |
IPOgv3zU7M2 |
| Name |
Isopropyl 2-[(2-chlorobenzoyl)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 |
391.100892443 u |
| Formula |
C20H22ClNO3S |
| InChI |
InChI=1S/C20H22ClNO3S/c1-12(2)25-20(24)17-14-9-4-3-5-11-16(14)26-19(17)22-18(23)13-8-6-7-10-15(13)21/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,22,23) |
| InChIKey |
HEQROZJBVWXVIC-UHFFFAOYSA-N |
| Molecular Weight |
391.913 g/mol |
| SMILES |
N(C1=C(C(OC(C)C)=O)C2=C(CCCCC2)S1)C(C=1C(Cl)=CC=CC1)=O |
![isopropyl 2-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/IPOgv3zU7M2/structure.png?h=300&w=458 "isopropyl 2-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
