| SpectraBase Spectrum ID |
Emv2jhO541x |
| Name |
4H-Pyrane-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-(2-thienyl)-, benzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.088163554 u |
| Formula |
C19H16N2O3S |
| InChI |
InChI=1S/C19H16N2O3S/c1-12-16(19(22)23-11-13-6-3-2-4-7-13)17(15-8-5-9-25-15)14(10-20)18(21)24-12/h2-9,17H,11,21H2,1H3 |
| InChIKey |
HTFUQCBXSXHNBW-UHFFFAOYSA-N |
| Molecular Weight |
352.408 g/mol |
| SMILES |
C=1(OC(C)=C(C(C1C#N)C1=CC=CS1)C(OCC1=CC=CC=C1)=O)N |
