(4R,5R,6E)-6-(2-Hydroxyethylidene)-4-Methyl-7-Oxo-3-(Pyridin-2-Ylmethylsulfanyl)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 140631-65-8]

Identification

• Name: (4R,5R,6E)-6-(2-Hydroxyethylidene)-4-Methyl-7-Oxo-3-(Pyridin-2-Ylmethylsulfanyl)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (4R,5R,6E)-6-(2-Hydroxyethylidene)-4-Methyl-7-Oxo-3-(2-Pyridylmethylsulfanyl)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (4R,5R,6E)-6-(2-Hydroxyethylidene)-4-Methyl-7-Oxo-3-(2-Pyridylmethylthio)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (4R,5R,6E)-6-(2-Hydroxyethylidene)-7-Keto-4-Methyl-3-(2-Pyridylmethylthio)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₆N₂O₄S
• Molecular Weight: 332.37
• CAS Registry Number: 140631-65-8
• SMILES: [C@@H]1(C(=C(N2[C@H]1\C(C2=O)=C/CO)C(=O)O)SCC3=NC=CC=C3)C
• InChI: 1S/C16H16N2O4S/c1-9-12-11(5-7-19)15(20)18(12)13(16(21)22)14(9)23-8-10-4-2-3-6-17-10/h2-6,9,12,19H,7-8H2,1H3,(H,21,22)/b11-5+/t9-,12-/m1/s1
• InChIKey: MOWZUOXQOKSRJR-VUJKZXEDSA-N

Properties

• Density: 1.495g/cm³ (Cal.)
• Boiling point: 598.443°C at 760 mmHg (Cal.)
• Flash point: 315.727°C (Cal.)