ethyl (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[[4-fluoranyl-3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]amino]methylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[[4-fluoranyl-3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]amino]methylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate Openeye Name: ethyl (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[4-fluoro-3-(2-morpholinoethylcarbamoylamino)anilino]methylene]-4-oxo-thiazolidin-2-ylidene]acetate CAS Name: (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[4-fluoro-3-[[[2-(4-morpholinyl)ethylamino]-oxomethyl]amino]anilino]methylidene]-4-oxo-2-thiazolidinylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[4-fluoro-3-(2-morpholin-4-ylethylcarbamoylamino)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate Traditional Name: (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[4-fluoro-3-(2-morpholinoethylcarbamoylamino)anilino]methylene]-4-keto-thiazolidin-2-ylidene]acetic acid ethyl ester Formula: C24H29FN6O5S MolecularWeight: 532.587663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CNC2=CC(=C(C=C2)F)NC(=O)NCCN3CCOCC3)SC1=C(C#N)C(=O)OCC

Isomeric SMILES

CCN\1C(=O)/C(=C\NC2=CC(=C(C=C2)F)NC(=O)NCCN3CCOCC3)/S/C1=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C24H29FN6O5S/c1-3-31-21(32)20(37-22(31)17(14-26)23(33)36-4-2)15-28-16-5-6-18(25)19(13-16)29-24(34)27-7-8-30-9-11-35-12-10-30/h5-6,13,15,28H,3-4,7-12H2,1-2H3,(H2,27,29,34)/b20-15+,22-17+