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

Systemtic Name: (2E)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[2-(4-methoxyphenyl)thiazol-4-yl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[2-(4-methoxyphenyl)-4-thiazolyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[2-(4-methoxyphenyl)thiazol-4-yl]-2-pivaloyl-acrylonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CSC(=N1)C2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CSC(=N1)C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C18H18N2O2S/c1-18(2,3)16(21)13(10-19)9-14-11-23-17(20-14)12-5-7-15(22-4)8-6-12/h5-9,11H,1-4H3/b13-9+