(2E)-4,4-dimethyl-2-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-2-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-4,4-dimethyl-2-[(2-morpholino-4-phenyl-thiazol-5-yl)methylene]-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-2-[[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]methylidene]-3-oxopentanenitrile IUPAC Name: (2E)-4,4-dimethyl-2-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]-3-oxopentanenitrile Traditional Name: (E)-3-(2-morpholino-4-phenyl-thiazol-5-yl)-2-pivaloyl-acrylonitrile Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=C(N=C(S1)N2CCOCC2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=C(N=C(S1)N2CCOCC2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)19(25)16(14-22)13-17-18(15-7-5-4-6-8-15)23-20(27-17)24-9-11-26-12-10-24/h4-8,13H,9-12H2,1-3H3/b16-13+