(4-Nitrophenyl)Methyl [2S-(2alpha,4beta,5alpha,6beta)]-3,3-Dimethyl-7-Oxo-6-(Phenoxyacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate 4-Oxide
[CAS# 41625-65-4]

Identification

• Name: (4-Nitrophenyl)Methyl [2S-(2alpha,4beta,5alpha,6beta)]-3,3-Dimethyl-7-Oxo-6-(Phenoxyacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate 4-Oxide
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-2-(4-Nitrophenyl)-4,7-Dioxo-6-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Methyl Ester; (2S,5R,6R)-4,7-Diketo-3,3-Dimethyl-2-(4-Nitrophenyl)-6-[[2-(Phenoxy)Acetyl]Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Methyl Ester; Methyl (2S,5R,6R)-3,3-Dimethyl-2-(4-Nitrophenyl)-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: 41625-65-4
• EINECS: 255-470-1
• SMILES: [C@]1(N3[C@H]([S](=O)C1(C)C)[C@H](NC(=O)COC2=CC=CC=C2)C3=O)(C4=CC=C([N+]([O-])=O)C=C4)C(OC)=O
• InChI: 1S/C23H23N3O8S/c1-22(2)23(21(29)33-3,14-9-11-15(12-10-14)26(30)31)25-19(28)18(20(25)35(22)32)24-17(27)13-34-16-7-5-4-6-8-16/h4-12,18,20H,13H2,1-3H3,(H,24,27)/t18-,20-,23+,35?/m1/s1
• InChIKey: SAJMIKURKVDSPW-MZOKJTKOSA-N

Properties

• Density: 1.512g/cm³ (Cal.)
• Boiling point: 809.009°C at 760 mmHg (Cal.)
• Flash point: 443.073°C (Cal.)