[6R-(6alpha,7beta)]-3-Methyl-8-Oxo-7-(Phenylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid 5-Oxide
[CAS# 49586-46-1]

Identification

• Name: [6R-(6alpha,7beta)]-3-Methyl-8-Oxo-7-(Phenylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid 5-Oxide
• Synonyms: (6R,7R)-3-Methyl-5,8-Dioxo-7-[(1-Oxo-2-Phenylethyl)Amino]-5$L^{4}-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-5,8-Diketo-3-Methyl-7-[(2-Phenylacetyl)Amino]-5$L^{4}-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-Methyl-5,8-Dioxo-7-(2-Phenylethanoylamino)-5$L^{4}-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₆N₂O₅S
• Molecular Weight: 348.37
• CAS Registry Number: 49586-46-1
• EINECS: 256-391-5
• SMILES: [C@H]12[S](=O)CC(=C(N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)O)C
• InChI: 1S/C16H16N2O5S/c1-9-8-24(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-,24?/m1/s1
• InChIKey: PHIMLNXVWFHTLQ-LCCRGGACSA-N

Properties

• Density: 1.559g/cm³ (Cal.)
• Boiling point: 813.726°C at 760 mmHg (Cal.)
• Flash point: 445.926°C (Cal.)