4-[5-[[2-(Azepan-1-yl)-5-cyano-1-ethyl-4-methyl-6-oxo-pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-thiazolidin-3-yl]butanoic acid
[CAS# 7063-95-8]

Identification

• Name: 4-[5-[[2-(Azepan-1-yl)-5-cyano-1-ethyl-4-methyl-6-oxo-pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-thiazolidin-3-yl]butanoic acid
• Synonyms: 4-[5-[[2-(Azepan-1-Yl)-5-Cyano-1-Ethyl-4-Methyl-6-Oxo-3-Pyridyl]Methylene]-4-Oxo-2-Thioxo-Thiazolidin-3-Yl]Butanoic Acid; 4-[5-[[2-(1-Azepanyl)-5-Cyano-1-Ethyl-4-Methyl-6-Oxo-3-Pyridyl]Methylene]-4-Oxo-2-Thioxo-3-Thiazolidinyl]Butanoic Acid; 4-[5-[[2-(Azepan-1-Yl)-5-Cyano-1-Ethyl-6-Keto-4-Methyl-3-Pyridyl]Methylene]-4-Keto-2-Thioxo-Thiazolidin-3-Yl]Butyric Acid
• Molecular Formula: C₂₃H₂₈N₄O₄S₂
• Molecular Weight: 488.62
• CAS Registry Number: 7063-95-8
• SMILES: C(N2C(=C(/C=C/1SC(N(C1=O)CCCC(=O)O)=S)C(=C(C2=O)C#N)C)N3CCCCCC3)C
• InChI: 1S/C23H28N4O4S2/c1-3-26-20(25-10-6-4-5-7-11-25)16(15(2)17(14-24)21(26)30)13-18-22(31)27(23(32)33-18)12-8-9-19(28)29/h13H,3-12H2,1-2H3,(H,28,29)/b18-13-
• InChIKey: ZBHMVGWNXSQCBN-AQTBWJFISA-N