| SpectraBase Spectrum ID |
J69iEStcf2s |
| Name |
Thiophene-2-carboxylic acid, [4-(5,6,7,8-tetrahydro-2-amino-3-cyano-5-oxo-4H-chromen-4-yl)-2-methoxyphenyl] ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.093642857 u |
| Formula |
C22H18N2O5S |
| InChI |
InChI=1S/C22H18N2O5S/c1-27-17-10-12(7-8-15(17)29-22(26)18-6-3-9-30-18)19-13(11-23)21(24)28-16-5-2-4-14(25)20(16)19/h3,6-10,19H,2,4-5,24H2,1H3 |
| InChIKey |
XNWDEGIRZKNSCU-UHFFFAOYSA-N |
| Molecular Weight |
422.455 g/mol |
| SMILES |
C=1(C(C=2C(=O)CCCC2OC1N)C1=CC(OC)=C(OC(C=2SC=CC2)=O)C=C1)C#N |
![Thiophene-2-carboxylic acid, [4-(5,6,7,8-tetrahydro-2-amino-3-cyano-5-oxo-4H-chromen-4-yl)-2-methoxyphenyl] ester](/api/spectrum/J69iEStcf2s/structure.png?h=300&w=458 "Thiophene-2-carboxylic acid, [4-(5,6,7,8-tetrahydro-2-amino-3-cyano-5-oxo-4H-chromen-4-yl)-2-methoxyphenyl] ester")
