| SpectraBase Spectrum ID |
4Pid2TUxni9 |
| Name |
Methyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]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 |
410.130028366 u |
| Formula |
C22H22N2O4S |
| InChI |
InChI=1S/C22H22N2O4S/c1-13-17(19(24-28-13)14-9-5-3-6-10-14)20(25)23-21-18(22(26)27-2)15-11-7-4-8-12-16(15)29-21/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,23,25) |
| InChIKey |
UCMROOFRVCNVAC-UHFFFAOYSA-N |
| Molecular Weight |
410.488 g/mol |
| SMILES |
N(C(C=1C(=NOC1C)C1=CC=CC=C1)=O)C1=C(C=2CCCCCC2S1)C(=O)OC |
![methyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/4Pid2TUxni9/structure.png?h=300&w=458 "methyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
