2-(4-Chlorophenyl)-2-oxoethyl (6S,7S)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
[CAS# 94088-86-5]

Identification

• Name: 2-(4-Chlorophenyl)-2-oxoethyl (6S,7S)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• Synonyms: 2-(p-chlorophenyl)-2-oxoethyl (6R-trans)-3-(acetoxymethyl)-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• Molecular Formula: C₂₄H₂₁ClN₂O₇S₂
• Molecular Weight: 549.02
• CAS Registry Number: 94088-86-5
• EINECS: 302-089-4
• SMILES: Clc1ccc(cc1)C(=O)COC(=O)C=3N4C(=O)[C@H](NC(=O)Cc2cccs2)[C@@H]4SCC=3COC(C)=O
• InChI: 1S/C24H21ClN2O7S2/c1-13(28)33-10-15-12-36-23-20(26-19(30)9-17-3-2-8-35-17)22(31)27(23)21(15)24(32)34-11-18(29)14-4-6-16(25)7-5-14/h2-8,20,23H,9-12H2,1H3,(H,26,30)/t20-,23-/m0/s1
• InChIKey: MONDTVMBCMIXGR-REWPJTCUSA-N

Properties

• Density: 1.526g/cm³ (Cal.)
• Boiling point: 827.877°C at 760 mmHg (Cal.)
• Flash point: 454.484°C (Cal.)