N-(5,6,7,9-Tetrahydro-1,2,3-Trimethoxy-10-Methylthio-9-Oxobenzo[a]Heptalen-7-Yl)Carbamic Acid Ethyl Ester
[CAS# 63620-51-9]

Identification

• Name: N-(5,6,7,9-Tetrahydro-1,2,3-Trimethoxy-10-Methylthio-9-Oxobenzo[a]Heptalen-7-Yl)Carbamic Acid Ethyl Ester
• Synonyms: N-[(7S)-1,2,3-Trimethoxy-10-(Methylthio)-9-Oxo-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Carbamic Acid Ethyl Ester; N-[(7S)-9-Keto-1,2,3-Trimethoxy-10-(Methylthio)-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Carbamic Acid Ethyl Ester; Nci60_001991
• Molecular Formula: C₂₃H₂₇NO₆S
• Molecular Weight: 445.53
• CAS Registry Number: 63620-51-9
• SMILES: [C@@H]3(NC(OCC)=O)C1=CC(=O)C(=CC=C1C2=C(OC)C(=C(OC)C=C2CC3)OC)SC
• InChI: 1S/C23H27NO6S/c1-6-30-23(26)24-16-9-7-13-11-18(27-2)21(28-3)22(29-4)20(13)14-8-10-19(31-5)17(25)12-15(14)16/h8,10-12,16H,6-7,9H2,1-5H3,(H,24,26)/t16-/m0/s1
• InChIKey: SMEGTTUCKYOLLP-INIZCTEOSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 698.891°C at 760 mmHg (Cal.)
• Flash point: 376.476°C (Cal.)