| SpectraBase Spectrum ID |
Gn44pmT7faB |
| Name |
Methyl 2-{[({(4E)-1-isobutyl-4-[(5-methyl-2-thienyl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]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 |
531.132019944 u |
| Formula |
C25H29N3O4S3 |
| InChI |
InChI=1S/C25H29N3O4S3/c1-14(2)12-28-23(30)18(11-16-10-9-15(3)34-16)26-25(28)33-13-20(29)27-22-21(24(31)32-4)17-7-5-6-8-19(17)35-22/h9-11,14H,5-8,12-13H2,1-4H3,(H,27,29)/b18-11+ |
| InChIKey |
RRGXKKRQTPILDY-WOJGMQOQSA-N |
| Molecular Weight |
531.704 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OC)C(CSC=1N(C(\C(=C/C=2SC(C)=CC2)N1)=O)CC(C)C)=O |
![methyl 2-{[({(4E)-1-isobutyl-4-[(5-methyl-2-thienyl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/Gn44pmT7faB/structure.png?h=300&w=458 "methyl 2-{[({(4E)-1-isobutyl-4-[(5-methyl-2-thienyl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
