| SpectraBase Spectrum ID |
8dk7pS9B3DR |
| Name |
Ethanimidothioic acid, 2-cyano-2-(3,5-dimethoxy-4-oxo-2,5-cyclohexadien-1-ylidene)-N-phenyl-, methyl ester |
| CAS Registry Number |
115351-42-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16N2O3S |
| InChI |
InChI=1S/C18H16N2O3S/c1-22-15-9-12(10-16(23-2)17(15)21)14(11-19)18(24-3)20-13-7-5-4-6-8-13/h4-10H,1-3H3/b20-18- |
| InChIKey |
OBXUWOAVEVYOND-ZZEZOPTASA-N |
| Molecular Weight |
340.397 g/mol |
| SMILES |
C1(=C(\C(=N\c2ccccc2)SC)C#N)C=C(OC)C(C(=C1)OC)=O |
| SPLASH |
splash10-0006-0039000000-0561252f2db70c766f74 |
| Source of Spectrum |
KC-1988-172-8 |
| Synonyms |
methyl (1Z)-2-cyano-2-(3,5-dimethoxy-4-oxo-2,5-cyclohexadien-1-ylidene)-N-phenylethanimidothioate
Quinonemethide |
| Wiley ID |
1335039 |
