![Methyl ([3-cyano-4-(4-pyridinyl)-5,6,7,8-tetrahydro-2-quinolinyl]sulfanyl)acetate](/api/spectrum/1UnOVl0ZZB0/structure.png?h=300&w=458 "Methyl ([3-cyano-4-(4-pyridinyl)-5,6,7,8-tetrahydro-2-quinolinyl]sulfanyl)acetate")
| SpectraBase Compound ID | unrf2VqgiI |
|---|---|
| InChI | InChI=1S/C18H17N3O2S/c1-23-16(22)11-24-18-14(10-19)17(12-6-8-20-9-7-12)13-4-2-3-5-15(13)21-18/h6-9H,2-5,11H2,1H3 |
| InChIKey | SSMZCTLPXVBFFK-UHFFFAOYSA-N |
| Mol Weight | 339.41 g/mol |
| Molecular Formula | C18H17N3O2S |
| Exact Mass | 339.104148 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1UnOVl0ZZB0 |
|---|---|
| Name | Methyl ([3-cyano-4-(4-pyridinyl)-5,6,7,8-tetrahydro-2-quinolinyl]sulfanyl)acetate |
| CAS Registry Number | 210766-88-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H17N3O2S |
| InChI | InChI=1S/C18H17N3O2S/c1-23-16(22)11-24-18-14(10-19)17(12-6-8-20-9-7-12)13-4-2-3-5-15(13)21-18/h6-9H,2-5,11H2,1H3 |
| InChIKey | SSMZCTLPXVBFFK-UHFFFAOYSA-N |
| Molecular Weight | 339.413 g/mol |
| SMILES | c1(c(nc2c(c1-c1ccncc1)CCCC2)SCC(=O)OC)C#N |
| SPLASH | splash10-001r-5593000000-fea37809046081c7c87b |
| Synonyms | (3-Cyano-4-pyridin-4-yl-5,6,7,8-tetrahydro-quinolin-2-ylsulfanyl)-acetic acid methyl ester 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid methyl ester 2-[[3-cyano-4-(4-pyridyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester Methyl 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate Methyl 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Methyl 2-[[3-cyano-4-(4-pyridyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate |
| Wiley ID | 1459721 |