Tri(Phenyl)Methyl 3-(2-Acetamidoethylsulfanyl)-7-Oxo-6-Propan-2-Yl-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate
[CAS# 72614-91-6]

Identification

• Name: Tri(Phenyl)Methyl 3-(2-Acetamidoethylsulfanyl)-7-Oxo-6-Propan-2-Yl-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate
• Synonyms: Tri(Phenyl)Methyl 3-(2-Acetamidoethylsulfanyl)-6-Isopropyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate; 3-(2-Acetamidoethylthio)-6-Isopropyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid Tri(Phenyl)Methyl Ester; 3-(2-Acetamidoethylthio)-6-Isopropyl-7-Keto-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid Tri(Phenyl)Methyl Ester
• Molecular Formula: C₃₃H₃₄N₂O₄S
• Molecular Weight: 554.70
• CAS Registry Number: 72614-91-6
• SMILES: C5=C(C(OC(=O)C1=C(SCCNC(=O)C)CC2N1C(=O)C2C(C)C)(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C5
• InChI: 1S/C33H34N2O4S/c1-22(2)29-27-21-28(40-20-19-34-23(3)36)30(35(27)31(29)37)32(38)39-33(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,22,27,29H,19-21H2,1-3H3,(H,34,36)
• InChIKey: HUZLMMXJPYUKJE-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 736.335°C at 760 mmHg (Cal.)
• Flash point: 399.121°C (Cal.)