Ethyl (2Z)-cyano[(5E)-3-ethyl-5-{[(4-{[3-(4-morpholinyl)propanoyl]amino}phenyl)amino]methylene}-4-oxo-1,3-thiazolidin-2-ylidene]acetate
[CAS# 623553-41-3]

Identification

• Name: Ethyl (2Z)-cyano[(5E)-3-ethyl-5-{[(4-{[3-(4-morpholinyl)propanoyl]amino}phenyl)amino]methylene}-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• Synonyms: Cyano-(3-ethyl-5-{[4-(3-morpholin-4-yl-propionylamino)-phenylamino]-; methylene}-4-oxo-thiazolidin-2-ylidene)-acetic acid ethyl ester; Cyano-(3-ethyl-5-{[4-(3-morpholin-4-yl-propionylamino)-phenylamino]-methylene}-4-oxo-thiazolidin-2-ylidene)-acetic acid ethyl ester; n / a
• Molecular Formula: C₂₄H₂₉N₅O₅S
• Molecular Weight: 499.58
• CAS Registry Number: 623553-41-3
• SMILES: CCn\1c(=O)/c(=C\Nc2ccc(cc2)NC(=O)CCN3CCOCC3)/s/c1=C(/C#N)\C(=O)OCC
• InChI: 1S/C24H29N5O5S/c1-3-29-22(31)20(35-23(29)19(15-25)24(32)34-4-2)16-26-17-5-7-18(8-6-17)27-21(30)9-10-28-11-13-33-14-12-28/h5-8,16,26H,3-4,9-14H2,1-2H3,(H,27,30)/b20-16+,23-19?
• InChIKey: HFDHAAYRABLZOX-MBKMUKSOSA-N

Properties

• Density: 1.373g/cm³ (Cal.)
• Boiling point: 708.403°C at 760 mmHg (Cal.)
• Flash point: 382.228°C (Cal.)
• Refractive index: 1.667 (Cal.)