| SpectraBase Spectrum ID |
9toHAv8Simf |
| Name |
2-Propenoic acid, 2-cyano-3-[2-[(1,1-dimethylethyl)thio]-7-methyl-3-quinolinyl]-, ethyl ester |
| CAS Registry Number |
80231-58-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22N2O2S |
| InChI |
InChI=1S/C20H22N2O2S/c1-6-24-19(23)16(12-21)11-15-10-14-8-7-13(2)9-17(14)22-18(15)25-20(3,4)5/h7-11H,6H2,1-5H3/b16-11+ |
| InChIKey |
RQVDVDYHUGNGDF-LFIBNONCSA-N |
| Molecular Weight |
354.468 g/mol |
| SMILES |
c1(\C=C\(C(=O)OCC)C#N)c(nc2c(c1)ccc(C)c2)SC(C)(C)C |
| SPLASH |
splash10-004i-0090000000-0686c384dfeb17473ef3 |
| Source of Spectrum |
KC-1981-2515-0 |
| Synonyms |
Ethyl (2E)-3-[2-(tert-butylsulfanyl)-7-methyl-3-quinolinyl]-2-cyano-2-propenoate
Ethyl 2-cyano-3-(7-methyl-2-t-butylthio-3-quinolyl)acrylate |
| Wiley ID |
1344588 |
![2-Propenoic acid, 2-cyano-3-[2-[(1,1-dimethylethyl)thio]-7-methyl-3-quinolinyl]-, ethyl ester](/api/spectrum/9toHAv8Simf/structure.png?h=300&w=458 "2-Propenoic acid, 2-cyano-3-[2-[(1,1-dimethylethyl)thio]-7-methyl-3-quinolinyl]-, ethyl ester")
