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

Systemtic Name: ethyl (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[[4-[2-(2-hydroxyethyloxy)ethylcarbamothioylamino]phenyl]amino]methylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate Openeye Name: ethyl (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[4-[2-(2-hydroxyethoxy)ethylcarbamothioylamino]anilino]methylene]-4-oxo-thiazolidin-2-ylidene]acetate CAS Name: (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[4-[[[2-(2-hydroxyethoxy)ethylamino]-sulfanylidenemethyl]amino]anilino]methylidene]-4-oxo-2-thiazolidinylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[4-[2-(2-hydroxyethoxy)ethylcarbamothioylamino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate Traditional Name: (2E)-2-cyano-2-[(5E)-3-ethyl-5-[[4-[2-(2-hydroxyethoxy)ethylthiocarbamoylamino]anilino]methylene]-4-keto-thiazolidin-2-ylidene]acetic acid ethyl ester Formula: C22H27N5O5S2 MolecularWeight: 505.61028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CNC2=CC=C(C=C2)NC(=S)NCCOCCO)SC1=C(C#N)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5S2/c1-3-27-19(29)18(34-20(27)17(13-23)21(30)32-4-2)14-25-15-5-7-16(8-6-15)26-22(33)24-9-11-31-12-10-28/h5-8,14,25,28H,3-4,9-12H2,1-2H3,(H2,24,26,33)/b18-14+,20-17+