| SpectraBase Spectrum ID |
6xWZYA0ZiHp |
| Name |
Methyl 2-{[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoyl]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 |
410.093642857 u |
| Formula |
C21H18N2O5S |
| InChI |
InChI=1S/C21H18N2O5S/c1-28-21(27)18-14-4-2-3-5-15(14)29-20(18)22-19(26)12-6-8-13(9-7-12)23-16(24)10-11-17(23)25/h6-11H,2-5H2,1H3,(H,22,26) |
| InChIKey |
NTJQPYHWACEZQO-UHFFFAOYSA-N |
| Molecular Weight |
410.444 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OC)C(C=1C=CC(N2C(C=CC2=O)=O)=CC1)=O |
![methyl 2-{[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/6xWZYA0ZiHp/structure.png?h=300&w=458 "methyl 2-{[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
