| SpectraBase Spectrum ID |
Ie3Qqr523rd |
| Name |
Methyl 6-ethyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]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 |
424.145678431 u |
| Formula |
C23H24N2O4S |
| InChI |
InChI=1S/C23H24N2O4S/c1-4-14-10-11-16-17(12-14)30-22(19(16)23(27)28-3)24-21(26)18-13(2)29-25-20(18)15-8-6-5-7-9-15/h5-9,14H,4,10-12H2,1-3H3,(H,24,26) |
| InChIKey |
WSXGZXUHMCMJMI-UHFFFAOYSA-N |
| Molecular Weight |
424.515 g/mol |
| SMILES |
N(C(C=1C(=NOC1C)C1=CC=CC=C1)=O)C1=C(C=2CCC(CC2S1)CC)C(=O)OC |
![Methyl 6-ethyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/Ie3Qqr523rd/structure.png?h=300&w=458 "Methyl 6-ethyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
