Ethyl (2Z)-{3-[(Z)-(5-Chloro-3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}(Cyano)Acetate
[CAS# 55952-71-1]

Identification

• Name: Ethyl (2Z)-{3-[(Z)-(5-Chloro-3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}(Cyano)Acetate
• Synonyms: Acetic acid, [3-[[5-chloro-3-ethyl-2(3H)-benzothiazolylidene]methyl]-2-cyclohexen-1-ylidene]cyano-, ethyl ester (9CI); ethyl (2Z)-{3-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]cyclohex-2-en-1-ylidene}(cyano)acetate
• Molecular Formula: C₂₁H₂₁ClN₂O₂S
• Molecular Weight: 400.92
• CAS Registry Number: 55952-71-1
• SMILES: CCN1c2cc(ccc2SC1=CC3=CC(=C(C#N)C(=O)OCC)CCC3)Cl
• InChI: 1S/C21H21ClN2O2S/c1-3-24-18-12-16(22)8-9-19(18)27-20(24)11-14-6-5-7-15(10-14)17(13-23)21(25)26-4-2/h8-12H,3-7H2,1-2H3/b17-15-,20-11-
• InChIKey: NEDYJWOSLKGDJL-HXYWDIAQSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 524.373°C at 760 mmHg (Cal.)
• Flash point: 270.931°C (Cal.)