Diphenylmethyl 3,3-Dimethyl-7-Oxo-6-[(Phenoxyacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate 4-Oxide
[CAS# 37591-67-6]

Identification

• Name: Diphenylmethyl 3,3-Dimethyl-7-Oxo-6-[(Phenoxyacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate 4-Oxide
• Synonyms: diphenylmethyl [2S(2α,4β,5α,6β)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide; diphenylmethyl [2S-(2α,5α,6β)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide
• Molecular Formula: C₂₉H₂₈N₂O₆S
• Molecular Weight: 532.61
• CAS Registry Number: 37591-67-6
• EINECS: 253-558-4
• SMILES: O=S4C5C(NC(=O)COc1ccccc1)C(=O)N5C(C(=O)OC(c2ccccc2)c3ccccc3)C4(C)C
• InChI: 1S/C29H28N2O6S/c1-29(2)25(28(34)37-24(19-12-6-3-7-13-19)20-14-8-4-9-15-20)31-26(33)23(27(31)38(29)35)30-22(32)18-36-21-16-10-5-11-17-21/h3-17,23-25,27H,18H2,1-2H3,(H,30,32)
• InChIKey: LCRVLXSXMGVJHV-UHFFFAOYSA-N

Properties

• Density: 1.402g/cm³ (Cal.)
• Boiling point: 803.523°C at 760 mmHg (Cal.)
• Flash point: 439.755°C (Cal.)