AC1NRCLR
ethyl 1-[5-cyano-1-ethyl-3-[[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxo-2-pyridinyl]piperidine-3-carboxylate
Also Known As: Ethyl 1-[5-cyano-1-ethyl-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-3-carboxylate|ethyl 1-[5-cyano-1-ethyl-3-[[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-3-carboxylate
| Molecular Formula | C26H28N4O5S2 |
|---|---|
| Molecular Weight | 540.1501 g/mol |
| LogP | 3.8222 |
| Topological Polar Surface Area | 108.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.1501 |
| Monoisotopic Mass | 540.1501 |
| Heavy Atoms | 37 |
| Complexity | 1356.4171 |
Chemical Identifiers
| CAS Number | 7063-76-5 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3=CC=CO3)N4CCCC(C4)C(=O)OCC |
Product Overview
AC1NRCLR (CAS 7063-76-5), with molecular formula C26H28N4O5S2 and molecular weight 540.1501 g/mol. IUPAC: ethyl 1-[5-cyano-1-ethyl-3-[[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxo-2-pyridinyl]piperidine-3-carboxylate.
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