Ethyl (2Z)-Cyano{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5,5-Dimethyl-2-Cyclohexen-1-Ylidene}Acetate
[CAS# 20159-49-3]

Identification

• Name: Ethyl (2Z)-Cyano{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5,5-Dimethyl-2-Cyclohexen-1-Ylidene}Acetate
• Synonyms: Acetic acid, cyano[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-, ethyl ester (9CI); ; 2-Cyclohexene-D1,a-acetic acid, a-cyano-3-[(3-ethyl-2-benzothiazolinylidene)methyl]-5,5-dimethyl-, ethyl ester (8CI); ethyl 2-cyano-2-(3-{[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)acetate
• Molecular Formula: C₂₃H₂₆N₂O₂S
• Molecular Weight: 394.53
• CAS Registry Number: 20159-49-3
• SMILES: CCN1c2ccccc2SC1=CC3=CC(=C(C#N)C(=O)OCC)CC(C3)(C)C
• InChI: 1S/C23H26N2O2S/c1-5-25-19-9-7-8-10-20(19)28-21(25)12-16-11-17(14-23(3,4)13-16)18(15-24)22(26)27-6-2/h7-12H,5-6,13-14H2,1-4H3/b18-17+,21-12-
• InChIKey: FWKSBASWZNIWFR-POMFLPKGSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 498.413°C at 760 mmHg (Cal.)
• Flash point: 255.231°C (Cal.)
• Refractive index: 1.622 (Cal.)