3-[[(E)-2-Acetamidovinyl]thio]-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
[CAS# 82837-65-8]

Identification

• Name: 3-[[(E)-2-Acetamidovinyl]thio]-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Synonyms: 3-[(E)-2-Acetamidovinyl]Sulfanyl-6-Isopropyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; 3-[[(E)-2-Acetamidovinyl]Thio]-6-Isopropyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; 3-[[(E)-2-Acetamidovinyl]Thio]-6-Isopropyl-7-Keto-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₄H₁₈N₂O₄S
• Molecular Weight: 310.37
• CAS Registry Number: 82837-65-8
• SMILES: CC(C2C1N(C(=C(C1)S\C=C\NC(=O)C)C(=O)O)C2=O)C
• InChI: 1S/C14H18N2O4S/c1-7(2)11-9-6-10(21-5-4-15-8(3)17)12(14(19)20)16(9)13(11)18/h4-5,7,9,11H,6H2,1-3H3,(H,15,17)(H,19,20)/b5-4+
• InChIKey: LMCMRDZMDLAQJY-SNAWJCMRSA-N

Properties

• Density: 1.368g/cm³ (Cal.)
• Boiling point: 546.679°C at 760 mmHg (Cal.)
• Flash point: 284.421°C (Cal.)