ChemDiv1_002400
ethyl 4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: ChemDiv1_002400|HMS593N02|AK-777/36976002|SR-01000423421-1|ethyl 4-((3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate|ethyl 4-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanyl-3-oxobutanoate|ethyl 4-{[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate|ethyl 4-{[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate|ethyl 4-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)(2-pyridylthio)]-3-oxobutano ate
| Molecular Formula | C23H20N2O4S2 |
|---|---|
| Molecular Weight | 452.08646 g/mol |
| LogP | 4.97178 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.08646 |
| Monoisotopic Mass | 452.08646 |
| Heavy Atoms | 31 |
| Complexity | 1103.8503 |
Chemical Identifiers
| CAS Number | 290299-72-8 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)OC)C#N |
Product Overview
ChemDiv1_002400 (CAS 290299-72-8), with molecular formula C23H20N2O4S2 and molecular weight 452.08646 g/mol. IUPAC: ethyl 4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-3-oxobutanoate.
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