[6-(4-Methoxyphenyl)Pyrrolo[2,1-d][1,5]Benzothiazepin-7-Yl] Acetate
[CAS# 131403-76-4]

Identification

• Name: [6-(4-Methoxyphenyl)Pyrrolo[2,1-d][1,5]Benzothiazepin-7-Yl] Acetate
• Synonyms: Acetic Acid [6-(4-Methoxyphenyl)-7-Pyrrolo[2,1-D][1,5]Benzothiazepinyl] Ester; Acetic Acid [6-(4-Methoxyphenyl)Pyrrolo[2,1-D][1,5]Benzothiazepin-7-Yl] Ester; [6-(4-Methoxyphenyl)Pyrrolo[2,1-D][1,5]Benzothiazepin-7-Yl] Ethanoate
• Molecular Formula: C₂₁H₁₇NO₃S
• Molecular Weight: 363.43
• CAS Registry Number: 131403-76-4
• SMILES: C4=C3C(=C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2[N]3C=C4)OC(C)=O
• InChI: 1S/C21H17NO3S/c1-14(23)25-20-18-7-5-13-22(18)17-6-3-4-8-19(17)26-21(20)15-9-11-16(24-2)12-10-15/h3-13H,1-2H3
• InChIKey: NCWRHYSPTPPIQP-UHFFFAOYSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 534.54°C at 760 mmHg (Cal.)
• Flash point: 277.08°C (Cal.)