| SpectraBase Spectrum ID |
6LSX0DDev9x |
| Name |
Methyl 2-[(3-methoxybenzoyl)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 |
359.119129330 u |
| Formula |
C19H21NO4S |
| InChI |
InChI=1S/C19H21NO4S/c1-23-13-8-6-7-12(11-13)17(21)20-18-16(19(22)24-2)14-9-4-3-5-10-15(14)25-18/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,21) |
| InChIKey |
FZOZFOGQAXIRBP-UHFFFAOYSA-N |
| Molecular Weight |
359.440 g/mol |
| SMILES |
N(C1=C(C=2CCCCCC2S1)C(=O)OC)C(C=1C=C(OC)C=CC1)=O |
![methyl 2-[(3-methoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/6LSX0DDev9x/structure.png?h=300&w=458 "methyl 2-[(3-methoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
