Ethyl 3-[[(2,2-Dimethyl-3H-Benzofuran-7-Yl)Oxycarbonyl-Methyl-Amino]Sulfanyl-Hexyl-Amino]Propanoate
[CAS# 82560-66-5]

Identification

• Name: Ethyl 3-[[(2,2-Dimethyl-3H-Benzofuran-7-Yl)Oxycarbonyl-Methyl-Amino]Sulfanyl-Hexyl-Amino]Propanoate
• Synonyms: Ethyl 3-[[(2,2-Dimethyl-3H-Benzofuran-7-Yl)Oxycarbonyl-Methyl-Amino]Sulfanyl-Hexyl-Amino]Propanoate; 3-[[[[(2,2-Dimethyl-3H-Benzofuran-7-Yl)Oxy-Oxomethyl]-Methylamino]Thio]-Hexylamino]Propanoic Acid Ethyl Ester; 3-[[[(2,2-Dimethyl-3H-Benzofuran-7-Yl)Oxycarbonyl-Methyl-Amino]Thio]-Hexyl-Amino]Propionic Acid Ethyl Ester
• Molecular Formula: C₂₃H₃₆N₂O₅S
• Molecular Weight: 452.61
• CAS Registry Number: 82560-66-5
• SMILES: C2=C1CC(OC1=C(OC(N(SN(CCC(=O)OCC)CCCCCC)C)=O)C=C2)(C)C
• InChI: 1S/C23H36N2O5S/c1-6-8-9-10-15-25(16-14-20(26)28-7-2)31-24(5)22(27)29-19-13-11-12-18-17-23(3,4)30-21(18)19/h11-13H,6-10,14-17H2,1-5H3
• InChIKey: XWXLSGZUTPXEDM-UHFFFAOYSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 535.381°C at 760 mmHg (Cal.)
• Flash point: 277.589°C (Cal.)