4-Nitrobenzyl [2S-(2alpha,5alpha,6beta)]-3,3-Dimethyl-7-Oxo-6-(Phenoxyacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate 4-Oxide
[CAS# 29707-62-8]

Identification

• Name: 4-Nitrobenzyl [2S-(2alpha,5alpha,6beta)]-3,3-Dimethyl-7-Oxo-6-(Phenoxyacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate 4-Oxide
• Synonyms: 3,3-Dimethyl-4,7-Dioxo-6-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid (4-Nitrophenyl)Methyl Ester; 4,7-Diketo-3,3-Dimethyl-6-[[2-(Phenoxy)Acetyl]Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid (4-Nitrobenzyl) Ester; (4-Nitrophenyl)Methyl 3,3-Dimethyl-4,7-Dioxo-6-[2-(Phenoxy)Ethanoylamino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₃H₂₃N₃O₈S
• Molecular Weight: 501.51
• CAS Registry Number: 29707-62-8
• EINECS: 249-792-1
• SMILES: C4=C(COC(=O)C1N3C([S](=O)C1(C)C)C(NC(=O)COC2=CC=CC=C2)C3=O)C=CC(=C4)[N+]([O-])=O
• InChI: 1S/C23H23N3O8S/c1-23(2)19(22(29)34-12-14-8-10-15(11-9-14)26(30)31)25-20(28)18(21(25)35(23)32)24-17(27)13-33-16-6-4-3-5-7-16/h3-11,18-19,21H,12-13H2,1-2H3,(H,24,27)
• InChIKey: WNMFNGGUHIIQJE-UHFFFAOYSA-N

Properties

• Density: 1.511g/cm³ (Cal.)
• Boiling point: 828.419°C at 760 mmHg (Cal.)
• Flash point: 454.812°C (Cal.)