Tri(Phenyl)Methyl 3-[(E)-2-Acetamidoethenyl]Sulfanyl-6-Ethyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate
[CAS# 72615-17-9]

Identification

• Name: Tri(Phenyl)Methyl 3-[(E)-2-Acetamidoethenyl]Sulfanyl-6-Ethyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate
• Synonyms: Tri(Phenyl)Methyl 3-[(E)-2-Acetamidovinyl]Sulfanyl-6-Ethyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate; 3-[[(E)-2-Acetamidovinyl]Thio]-6-Ethyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid Tri(Phenyl)Methyl Ester; 3-[[(E)-2-Acetamidovinyl]Thio]-6-Ethyl-7-Keto-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid Tri(Phenyl)Methyl Ester
• Molecular Formula: C₃₂H₃₀N₂O₄S
• Molecular Weight: 538.66
• CAS Registry Number: 72615-17-9
• SMILES: C5=C(C(OC(=O)C1=C(S\C=C\NC(=O)C)CC2N1C(=O)C2CC)(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C5
• InChI: 1S/C32H30N2O4S/c1-3-26-27-21-28(39-20-19-33-22(2)35)29(34(27)30(26)36)31(37)38-32(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-20,26-27H,3,21H2,1-2H3,(H,33,35)/b20-19+
• InChIKey: MBOMUIAGSQENJC-FMQUCBEESA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 718.249°C at 760 mmHg (Cal.)
• Flash point: 388.183°C (Cal.)