(5R,6R)-3-[(E)-2-Acetamidoethenyl]Sulfanyl-6-Ethyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 72615-18-0]

Identification

• Name: (5R,6R)-3-[(E)-2-Acetamidoethenyl]Sulfanyl-6-Ethyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (5R,6R)-3-[(E)-2-Acetamidovinyl]Sulfanyl-6-Ethyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-[[(E)-2-Acetamidovinyl]Thio]-6-Ethyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-[[(E)-2-Acetamidovinyl]Thio]-6-Ethyl-7-Keto-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₆N₂O₄S
• Molecular Weight: 296.34
• CAS Registry Number: 72615-18-0
• SMILES: [C@@H]12N(C(=C(C1)S\C=C\NC(=O)C)C(=O)O)C([C@@H]2CC)=O
• InChI: 1S/C13H16N2O4S/c1-3-8-9-6-10(20-5-4-14-7(2)16)11(13(18)19)15(9)12(8)17/h4-5,8-9H,3,6H2,1-2H3,(H,14,16)(H,18,19)/b5-4+/t8-,9-/m1/s1
• InChIKey: PQZKMTPCUYSWBM-HOMPQPGZSA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 549.73°C at 760 mmHg (Cal.)
• Flash point: 286.266°C (Cal.)