3,3-Dimethyl-4,7-Dioxo-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 34104-15-9]

Identification

• Name: 3,3-Dimethyl-4,7-Dioxo-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: 3,3-Dimethyl-4,7-Dioxo-6-[(1-Oxo-2-Phenylethyl)Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 4,7-Diketo-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 3,3-Dimethyl-4,7-Dioxo-6-(2-Phenylethanoylamino)-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₈N₂O₅S
• Molecular Weight: 350.39
• CAS Registry Number: 34104-15-9 (52248-38-1)
• EINECS: 251-828-6
• SMILES: C1=CC=CC=C1CC(NC3C2[S](=O)C(C(N2C3=O)C(=O)O)(C)C)=O
• InChI: 1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)
• InChIKey: FCZNNHHXCFARDY-UHFFFAOYSA-N

Properties

• Density: 1.514g/cm³ (Cal.)
• Boiling point: 762.765°C at 760 mmHg (Cal.)
• Flash point: 415.106°C (Cal.)