(2E)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[5-(1,3-benzothiazol-2-yl)-2-furyl]-2-pivaloyl-acrylonitrile Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(O1)C2=NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=C(O1)C2=NC3=CC=CC=C3S2)/C#N

InChI

InChI=1S/C19H16N2O2S/c1-19(2,3)17(22)12(11-20)10-13-8-9-15(23-13)18-21-14-6-4-5-7-16(14)24-18/h4-10H,1-3H3/b12-10+