(S)-2-Chloro-N-[5,6,7,9-Tetrahydro-1,2,3-Trimethoxy-10-(Methylthio)-9-Oxobenzo[a]Heptalen-7-Yl]-Acetamide
[CAS# 38479-08-2]

Identification

• Name: (S)-2-Chloro-N-[5,6,7,9-Tetrahydro-1,2,3-Trimethoxy-10-(Methylthio)-9-Oxobenzo[a]Heptalen-7-Yl]-Acetamide
• Synonyms: 2-Chloro-N-[(7S)-1,2,3-Trimethoxy-10-(Methylthio)-9-Oxo-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Acetamide; 2-Chloro-N-[(7S)-9-Keto-1,2,3-Trimethoxy-10-(Methylthio)-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Acetamide; 2-Chloro-N-[(7S)-1,2,3-Trimethoxy-10-Methylsulfanyl-9-Oxo-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Ethanamide
• Molecular Formula: C₂₂H₂₄ClNO₅S
• Molecular Weight: 449.95
• CAS Registry Number: 38479-08-2
• SMILES: [C@H]3(C1=CC(=O)C(=CC=C1C2=C(C=C(OC)C(=C2OC)OC)CC3)SC)NC(CCl)=O
• InChI: 1S/C22H24ClNO5S/c1-27-17-9-12-5-7-15(24-19(26)11-23)14-10-16(25)18(30-4)8-6-13(14)20(12)22(29-3)21(17)28-2/h6,8-10,15H,5,7,11H2,1-4H3,(H,24,26)/t15-/m0/s1
• InChIKey: WRQYTVSIGKEZEJ-HNNXBMFYSA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 749.211°C at 760 mmHg (Cal.)
• Flash point: 406.908°C (Cal.)