[(7S)-7-Acetamido-1,3-Dimethoxy-10-Methylsulfanyl-9-Oxo-6,7-Dihydro-5H-Benzo[d]Heptalen-2-Yl] 2-Chloroacetate
[CAS# 148731-67-3]

Identification

• Name: [(7S)-7-Acetamido-1,3-Dimethoxy-10-Methylsulfanyl-9-Oxo-6,7-Dihydro-5H-Benzo[d]Heptalen-2-Yl] 2-Chloroacetate
• Synonyms: 2-Chloroacetic Acid [(7S)-7-Acetamido-1,3-Dimethoxy-10-(Methylthio)-9-Oxo-6,7-Dihydro-5H-Benzo[D]Heptalen-2-Yl] Ester; 2-Chloroacetic Acid [(7S)-7-Acetamido-9-Keto-1,3-Dimethoxy-10-(Methylthio)-6,7-Dihydro-5H-Benzo[D]Heptalen-2-Yl] Ester; [(7S)-7-Acetamido-1,3-Dimethoxy-10-Methylsulfanyl-9-Oxo-6,7-Dihydro-5H-Benzo[D]Heptalen-2-Yl] 2-Chloroethanoate
• Molecular Formula: C₂₃H₂₄ClNO₆S
• Molecular Weight: 477.96
• CAS Registry Number: 148731-67-3
• SMILES: [C@@H]3(NC(=O)C)C1=CC(=O)C(=CC=C1C2=C(C=C(OC)C(=C2OC)OC(=O)CCl)CC3)SC
• InChI: 1S/C23H24ClNO6S/c1-12(26)25-16-7-5-13-9-18(29-2)22(31-20(28)11-24)23(30-3)21(13)14-6-8-19(32-4)17(27)10-15(14)16/h6,8-10,16H,5,7,11H2,1-4H3,(H,25,26)/t16-/m0/s1
• InChIKey: WEFSQURXCINXNO-INIZCTEOSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 738.967°C at 760 mmHg (Cal.)
• Flash point: 400.713°C (Cal.)