Ethyl (2Z)-Cyano{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}Acetate
[CAS# 55952-69-7]

Identification

• Name: Ethyl (2Z)-Cyano{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}Acetate
• Synonyms: Acetic acid, cyano[3-[[3-ethyl-2(3H)-benzothiazolylidene]methyl]-2-cyclohexen-1-ylidene]-, ethyl ester (9CI); ethyl (2Z)-cyano{3-[(Z)-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]cyclohex-2-en-1-ylidene}acetate
• Molecular Formula: C₂₁H₂₂N₂O₂S
• Molecular Weight: 366.48
• CAS Registry Number: 55952-69-7
• SMILES: CCN1c2ccccc2SC1=CC3=CC(=C(C#N)C(=O)OCC)CCC3
• InChI: 1S/C21H22N2O2S/c1-3-23-18-10-5-6-11-19(18)26-20(23)13-15-8-7-9-16(12-15)17(14-22)21(24)25-4-2/h5-6,10-13H,3-4,7-9H2,1-2H3/b17-16-,20-13-
• InChIKey: KXGCKPUNMSDUSM-FVCYYYLCSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 490.896°C at 760 mmHg (Cal.)
• Flash point: 250.685°C (Cal.)