AC1O5O5U
2-[(5Z)-5-[(5Z)-5-[(2E)-2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid
Also Known As: EINECS 272-162-2|1-Imidazolidineacetic acid, 5-(5-((6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene)-3-ethyl-4-oxo-2-thiazolidinylidene)-4-oxo-3-phenyl-2-thioxo-|1-Imidazolidineacetic acid, 5-(5-(2-(6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene)-3-ethyl-4-oxo-2-thiazolidinylidene)-4-oxo-3-phenyl-2-thioxo-|2-(1-(Carboxymethyl)-4-oxo-3-phenyl-2-thioxo-5-imidazolidinylidene)-5-(2-(6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene)-3-ethyl-4-thiazolidinone|1-Imidazolidineacetic acid, 5-[5-[(6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]-4-oxo-3-phenyl-2-thioxo-|2-[(5Z)-5-[(5Z)-5-[(2E)-2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid|5-(5-((6-Ethoxy-1-ethyl-1H-quinolin-2-ylidene)ethylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)-4-oxo-3-phenyl-2-thioxoimidazolidine-1-acetic acid|5-[5-[(6-ethoxy-1-ethyl-1H-quinolin-2-ylidene)ethylidene]-3-ethyl-4-oxothiazolidin-2-ylidene]-4-oxo-3-phenyl-2-thioxoimidazolidine-1-acetic acid
| Molecular Formula | C31H30N4O5S2 |
|---|---|
| Molecular Weight | 602.1658 g/mol |
| LogP | 3.3726 |
| Topological Polar Surface Area | 95.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 602.1658 |
| Monoisotopic Mass | 602.1658 |
| Heavy Atoms | 42 |
| Complexity | 1806.3383 |
Chemical Identifiers
| CAS Number | 68758-87-2 |
|---|---|
| SMILES | CCN1/C(=C/C=C\2/C(=O)N(/C(=C/3\C(=O)N(C(=S)N3CC(=O)O)C4=CC=CC=C4)/S2)CC)/C=CC5=C1C=CC(=C5)OCC |
Product Overview
AC1O5O5U (CAS 68758-87-2), with molecular formula C31H30N4O5S2 and molecular weight 602.1658 g/mol. IUPAC: 2-[(5Z)-5-[(5Z)-5-[(2E)-2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid.