[2S-(2alpha,5alpha,6beta)]-3,3-Dimethyl-7-Oxo-6-(Phenoxyacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 4-Oxide
[CAS# 4888-90-8]

Identification

• Name: [2S-(2alpha,5alpha,6beta)]-3,3-Dimethyl-7-Oxo-6-(Phenoxyacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 4-Oxide
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-4,7-Dioxo-6-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-4,7-Diketo-3,3-Dimethyl-6-[[2-(Phenoxy)Acetyl]Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-4,7-Dioxo-6-[2-(Phenoxy)Ethanoylamino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₈N₂O₆S
• Molecular Weight: 366.39
• CAS Registry Number: 4888-90-8
• EINECS: 225-507-6
• SMILES: [C@@H]12N([C@H](C([S]1=O)(C)C)C(=O)O)C([C@H]2NC(=O)COC3=CC=CC=C3)=O
• InChI: 1S/C16H18N2O6S/c1-16(2)12(15(21)22)18-13(20)11(14(18)25(16)23)17-10(19)8-24-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-,25?/m1/s1
• InChIKey: DNPOVSLJNLLGMA-SJUANORRSA-N

Properties

• Density: 1.543g/cm³ (Cal.)
• Boiling point: 780.16°C at 760 mmHg (Cal.)
• Flash point: 425.626°C (Cal.)