AC1N8OU3
methyl 5-cyano-4-(4-ethoxyphenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: Oprea1_691442|SR-01000484592-1|methyl 5-cyano-4-(4-ethoxyphenyl)-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-methoxy-2-oxoethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate|methyl 5-cyano-4-(4-ethoxyphenyl)-6-((2-methoxy-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-4-(4-ethoxyphenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C19H20N2O6S |
|---|---|
| Molecular Weight | 404.10422 g/mol |
| LogP | 1.72928 |
| Topological Polar Surface Area | 114.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.10422 |
| Monoisotopic Mass | 404.10422 |
| Heavy Atoms | 28 |
| Complexity | 827.82074 |
Chemical Identifiers
| CAS Number | 370855-72-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)OC)C(=O)OC |
Product Overview
AC1N8OU3 (CAS 370855-72-4), with molecular formula C19H20N2O6S and molecular weight 404.10422 g/mol. IUPAC: methyl 5-cyano-4-(4-ethoxyphenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.