4-[({(5E)-4-Oxo-5-[(2E)-3-phenyl-2-propen-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}methyl)amino]benzoic acid
[CAS# 86650-15-9]

Identification

• Name: 4-[({(5E)-4-Oxo-5-[(2E)-3-phenyl-2-propen-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}methyl)amino]benzoic acid
• Synonyms: 4-(((5-(3-Phenyl-2-propenylidene)-4-oxo-2-thioxothiazolidin-3-yl)methyl)amino)benzoic acid; Benzoic acid, 4-(((5-(3-phenyl-2-propenylidene)-4-oxo-2-thioxothiazolidin-3-yl)methyl)amino)-
• Molecular Formula: C₂₀H₁₆N₂O₃S₂
• Molecular Weight: 396.48
• CAS Registry Number: 86650-15-9
• SMILES: S=C1S/C(C(=O)N1CNc2ccc(C(=O)O)cc2)=C/C=C/c3ccccc3
• InChI: 1S/C20H16N2O3S2/c23-18-17(8-4-7-14-5-2-1-3-6-14)27-20(26)22(18)13-21-16-11-9-15(10-12-16)19(24)25/h1-12,21H,13H2,(H,24,25)/b7-4+,17-8+
• InChIKey: HWSFGEAZFKCFHO-AQHRCUNFSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 641.875°C at 760 mmHg (Cal.)
• Flash point: 341.994°C (Cal.)