N-(((((2,3-Dihydro-2,2-Dimethyl-7-Benzofuranyl)Oxy)Carbonyl)Methylamino)Thio)-N-(2-Methylpropyl)-beta-Alanine Ethyl Ester
[CAS# 82560-64-3]

Identification

• Name: N-(((((2,3-Dihydro-2,2-Dimethyl-7-Benzofuranyl)Oxy)Carbonyl)Methylamino)Thio)-N-(2-Methylpropyl)-beta-Alanine Ethyl Ester
• Synonyms: Ethyl 3-[[(2,2-Dimethyl-3H-Benzofuran-7-Yl)Oxycarbonyl-Methyl-Amino]Sulfanyl-Isobutyl-Amino]Propanoate; 3-[[[[(2,2-Dimethyl-3H-Benzofuran-7-Yl)Oxy-Oxomethyl]-Methylamino]Thio]-Isobutylamino]Propanoic Acid Ethyl Ester; 3-[[[(2,2-Dimethyl-3H-Benzofuran-7-Yl)Oxycarbonyl-Methyl-Amino]Thio]-Isobutyl-Amino]Propionic Acid Ethyl Ester
• Molecular Formula: C₂₁H₃₂N₂O₅S
• Molecular Weight: 424.55
• CAS Registry Number: 82560-64-3
• SMILES: C2=C1CC(OC1=C(OC(N(SN(CCC(=O)OCC)CC(C)C)C)=O)C=C2)(C)C
• InChI: 1S/C21H32N2O5S/c1-7-26-18(24)11-12-23(14-15(2)3)29-22(6)20(25)27-17-10-8-9-16-13-21(4,5)28-19(16)17/h8-10,15H,7,11-14H2,1-6H3
• InChIKey: JHYGWZQGOIIXAY-UHFFFAOYSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 508.031°C at 760 mmHg (Cal.)
• Flash point: 261.048°C (Cal.)