(6R-cis)-3-Methyl-8-Oxo-7-(Phenylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 68244-05-3]

Identification

• Name: (6R-cis)-3-Methyl-8-Oxo-7-(Phenylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7S)-3-Methyl-8-Oxo-7-[(1-Oxo-2-Phenylethyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)-8-Keto-3-Methyl-7-[(2-Phenylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)-3-Methyl-8-Oxo-7-(2-Phenylethanoylamino)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₆N₂O₄S
• Molecular Weight: 332.37
• CAS Registry Number: 68244-05-3
• EINECS: 269-483-5
• SMILES: [C@H]13N(C([C@@H]1NC(=O)CC2=CC=CC=C2)=O)C(=C(CS3)C)C(=O)O
• InChI: 1S/C16H16N2O4S/c1-9-8-23-15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)/t12-,15+/m0/s1
• InChIKey: CIPQGGYPCPIDBB-SWLSCSKDSA-N

Properties

• Density: 1.463g/cm³ (Cal.)
• Boiling point: 707.709°C at 760 mmHg (Cal.)
• Flash point: 381.809°C (Cal.)