(6R-cis)-3-(Hydroxymethyl)-7-Methoxy-8-Oxo-7-(2-Thienylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 54333-94-7]

Identification

• Name: (6R-cis)-3-(Hydroxymethyl)-7-Methoxy-8-Oxo-7-(2-Thienylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-3-(Hydroxymethyl)-7-Methoxy-8-Oxo-7-[[2-(2-Thienyl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Hydroxymethyl)-7-Methoxy-8-Oxo-7-[[1-Oxo-2-(2-Thienyl)Ethyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-8-Keto-7-Methoxy-3-Methylol-7-[[2-(2-Thienyl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₅H₁₆N₂O₆S₂
• Molecular Weight: 384.42
• CAS Registry Number: 54333-94-7
• EINECS: 259-108-3
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@]2(OC)NC(=O)CC3=CC=CS3)C(=O)O)CO
• InChI: 1S/C15H16N2O6S2/c1-23-15(16-10(19)5-9-3-2-4-24-9)13(22)17-11(12(20)21)8(6-18)7-25-14(15)17/h2-4,14,18H,5-7H2,1H3,(H,16,19)(H,20,21)/t14-,15-/m1/s1
• InChIKey: ZTFUMAYWSRFLRO-HUUCEWRRSA-N

Properties

• Density: 1.623g/cm³ (Cal.)
• Boiling point: 790.233°C at 760 mmHg (Cal.)
• Flash point: 431.718°C (Cal.)