(5S,6R)-3-Ethyl-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
[CAS# 774490-42-5]

Identification

• Name: (5S,6R)-3-Ethyl-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Synonyms: (5S,6R)-3-ethyl-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Molecular Formula: C₉H₁₁NO₄S
• Molecular Weight: 229.25
• CAS Registry Number: 774490-42-5
• SMILES: CCC1=C(N2[C@@H](S1)[C@@H](C2=O)OC)C(=O)O
• InChI: 1S/C9H11NO4S/c1-3-4-5(9(12)13)10-7(11)6(14-2)8(10)15-4/h6,8H,3H2,1-2H3,(H,12,13)/t6-,8+/m1/s1
• InChIKey: KPIYTPMDRQEBNZ-SVRRBLITSA-N

Properties

• Density: 1.499g/cm³ (Cal.)
• Boiling point: 454.647°C at 760 mmHg (Cal.)
• Flash point: 228.763°C (Cal.)
• Refractive index: 1.63 (Cal.)