Dibenzothioline
[CAS# 59316-76-6]

Identification

• Name: Dibenzothioline
• Synonyms: [6-[[2-[2-(Benzoylsulfanyl)Propanoylamino]Acetyl]Oxymethyl]-2-Pyridyl]Methyl 2-[2-(Benzoylsulfanyl)Propanoylamino]Acetate; 2-[[1-Oxo-2-[(Oxo-Phenylmethyl)Thio]Propyl]Amino]Acetic Acid [6-[[1-Oxo-2-[[1-Oxo-2-[(Oxo-Phenylmethyl)Thio]Propyl]Amino]Ethoxy]Methyl]-2-Pyridyl]Methyl Ester; 2-[2-(Benzoylthio)Propanoylamino]Acetic Acid [6-[[2-[2-(Benzoylthio)Propanoylamino]Acetyl]Oxymethyl]-2-Pyridyl]Methyl Ester
• Molecular Formula: C₃₁H₃₁N₃O₈S₂
• Molecular Weight: 637.72
• CAS Registry Number: 59316-76-6
• SMILES: C1=C(N=C(C=C1)COC(=O)CNC(=O)C(SC(=O)C2=CC=CC=C2)C)COC(=O)CNC(=O)C(SC(=O)C3=CC=CC=C3)C
• InChI: 1S/C31H31N3O8S2/c1-20(43-30(39)22-10-5-3-6-11-22)28(37)32-16-26(35)41-18-24-14-9-15-25(34-24)19-42-27(36)17-33-29(38)21(2)44-31(40)23-12-7-4-8-13-23/h3-15,20-21H,16-19H2,1-2H3,(H,32,37)(H,33,38)
• InChIKey: ZMRSCEGEIMGQPR-UHFFFAOYSA-N