(6S,7S)-3-[(Carbamoyloxy)Methyl]-8-Oxo-7-[(2-Thienylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 37051-05-1]

Identification

• Name: (6S,7S)-3-[(Carbamoyloxy)Methyl]-8-Oxo-7-[(2-Thienylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R-trans)-3-[(carbamoyloxy)methyl]-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• Molecular Formula: C₁₅H₁₅N₃O₆S₂
• Molecular Weight: 397.43
• CAS Registry Number: 37051-05-1
• EINECS: 253-324-1
• SMILES: OC(=O)C=2N3C(=O)[C@H](NC(=O)Cc1cccs1)[C@@H]3SCC=2COC(N)=O
• InChI: 1S/C15H15N3O6S2/c16-15(23)24-5-7-6-26-13-10(12(20)18(13)11(7)14(21)22)17-9(19)4-8-2-1-3-25-8/h1-3,10,13H,4-6H2,(H2,16,23)(H,17,19)(H,21,22)/t10-,13-/m0/s1
• InChIKey: YZKJQBUBQFJLMF-GWCFXTLKSA-N

Properties

• Density: 1.655g/cm³ (Cal.)
• Boiling point: 856.643°C at 760 mmHg (Cal.)
• Flash point: 471.881°C (Cal.)