| SpectraBase Spectrum ID |
1WLVq4OIm9t |
| Name |
Ethyl 1-methyl-3-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-5-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.151492086 u |
| Formula |
C20H25N3O5S |
| InChI |
InChI=1S/C20H25N3O5S/c1-4-10-28-20(26)16-12-8-6-7-9-15(12)29-18(16)21-17(24)13-11-14(23(3)22-13)19(25)27-5-2/h11H,4-10H2,1-3H3,(H,21,24) |
| InChIKey |
RWQCWDPRQOHNPS-UHFFFAOYSA-N |
| Molecular Weight |
419.496 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OCCC)C(C=1C=C(C(=O)OCC)N(N1)C)=O |
![ethyl 1-methyl-3-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-5-carboxylate](/api/spectrum/1WLVq4OIm9t/structure.png?h=300&w=458 "ethyl 1-methyl-3-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-5-carboxylate")
