(6R)-3-(Acetoxymethyl)-7-Methoxy-8-Oxo-7-(2-Thienylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 50268-65-0]

Identification

• Name: (6R)-3-(Acetoxymethyl)-7-Methoxy-8-Oxo-7-(2-Thienylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R)-3-(Acetoxymethyl)-7-Methoxy-8-Oxo-7-[[2-(2-Thienyl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R)-3-(Acetoxymethyl)-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)-3-(Acetoxymethyl)-8-Keto-7-Methoxy-7-[[2-(2-Thienyl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₇H₁₈N₂O₇S₂
• Molecular Weight: 426.46
• CAS Registry Number: 50268-65-0
• EINECS: 256-511-6
• SMILES: [C@H]12SCC(=C(N1C(=O)C2(OC)NC(=O)CC3=CC=CS3)C(=O)O)COC(=O)C
• InChI: 1S/C17H18N2O7S2/c1-9(20)26-7-10-8-28-16-17(25-2,15(24)19(16)13(10)14(22)23)18-12(21)6-11-4-3-5-27-11/h3-5,16H,6-8H2,1-2H3,(H,18,21)(H,22,23)/t16-,17?/m1/s1
• InChIKey: QLTVFUALEDMAKL-TZHYSIJRSA-N

Properties

• Density: 1.552g/cm³ (Cal.)
• Boiling point: 753.512°C at 760 mmHg (Cal.)
• Flash point: 409.51°C (Cal.)