AC1O5O5U structure

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

CAS: 68758-87-2
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.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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