2-[1-Oxo-4,4-Di(Phenyl)-2,3,4a,5,7,7a-Hexahydrothiopyrano[3,2-c]Pyrrol-6-Yl]-1-(4-Pyrrolidin-1-Ylphenyl)Ethanone
[CAS# 146862-49-9]

Identification

• Name: 2-[1-Oxo-4,4-Di(Phenyl)-2,3,4a,5,7,7a-Hexahydrothiopyrano[3,2-c]Pyrrol-6-Yl]-1-(4-Pyrrolidin-1-Ylphenyl)Ethanone
• Synonyms: 2-[1-Oxo-4,4-Di(Phenyl)-2,3,4A,5,7,7A-Hexahydrothiopyrano[3,2-C]Pyrrol-6-Yl]-1-(4-1-Pyrrolidinylphenyl)Ethanone; 2-[1-Keto-4,4-Di(Phenyl)-2,3,4A,5,7,7A-Hexahydrothiopyrano[3,2-C]Pyrrol-6-Yl]-1-(4-Pyrrolidin-1-Ylphenyl)Ethanone; Thiopyrano(2,3-C)Pyrrole, Octahydro-4,4-Diphenyl-6-((2-(1-Pyrrolidinyl)Phenyl)Acetyl)-, 1-Oxide, (1-Alpha,4A-Beta,7A-Beta)-(+-)-
• Molecular Formula: C₃₁H₃₄N₂O₂S
• Molecular Weight: 498.68
• CAS Registry Number: 146862-49-9
• SMILES: C6=C(C1(C2C([S](=O)CC1)CN(C2)CC(=O)C4=CC=C(N3CCCC3)C=C4)C5=CC=CC=C5)C=CC=C6
• InChI: 1S/C31H34N2O2S/c34-29(24-13-15-27(16-14-24)33-18-7-8-19-33)22-32-21-28-30(23-32)36(35)20-17-31(28,25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-16,28,30H,7-8,17-23H2
• InChIKey: QQUOSBGLSBFFDK-UHFFFAOYSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 728.222°C at 760 mmHg (Cal.)
• Flash point: 394.215°C (Cal.)