2,2-Dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-Dimethyl-7-Oxo-6-[(E)-4-Oxobut-2-Enylidene]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 142449-95-4]

Identification

• Name: 2,2-Dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-Dimethyl-7-Oxo-6-[(E)-4-Oxobut-2-Enylidene]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: (2S,5R,6Z)-3,3-Dimethyl-7-Oxo-6-[(E)-4-Oxobut-2-Enylidene]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid (2,2-Dimethyl-1-Oxopropoxy)Methyl Ester; (2S,5R,6Z)-7-Keto-6-[(E)-4-Ketobut-2-Enylidene]-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Pivaloyloxymethyl Ester; (2,2-Dimethyl-1-Oxopropoxy)Methyl 3,3-Dimethyl-7-Oxo-6-(4-Oxo-2-Butenylidene)-4-Thia-1-Azabicyclo(3.2.0)Heptane-2-Carboxylate (2S-(2Alpha,5Alpha,6Z(Z)))-
• Molecular Formula: C₁₈H₂₃NO₆S
• Molecular Weight: 381.44
• CAS Registry Number: 142449-95-4
• SMILES: [C@H]1(N2[C@H](SC1(C)C)\C(C2=O)=C/C=C/C=O)C(=O)OCOC(C(C)(C)C)=O
• InChI: 1S/C18H23NO6S/c1-17(2,3)16(23)25-10-24-15(22)12-18(4,5)26-14-11(8-6-7-9-20)13(21)19(12)14/h6-9,12,14H,10H2,1-5H3/b7-6+,11-8-/t12-,14+/m0/s1
• InChIKey: GCENSIWSRGSXJV-NNIBJMICSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 563.168°C at 760 mmHg (Cal.)
• Flash point: 294.393°C (Cal.)