3-[(2Z)-3-oxidanylidene-2-[(4-pentoxyphenyl)methylidene]-1-benzothiophen-5-yl]propanenitrile

Systemtic Name: 3-[(2Z)-3-oxidanylidene-2-[(4-pentoxyphenyl)methylidene]-1-benzothiophen-5-yl]propanenitrile Openeye Name: 3-[(2Z)-3-oxo-2-[(4-pentoxyphenyl)methylene]benzothiophen-5-yl]propanenitrile CAS Name: 3-[(2Z)-3-oxo-2-[(4-pentoxyphenyl)methylidene]-1-benzothiophen-5-yl]propanenitrile IUPAC Name: 3-[(2Z)-3-oxo-2-[(4-pentoxyphenyl)methylidene]-1-benzothiophen-5-yl]propanenitrile Traditional Name: 3-[(2Z)-2-(4-amoxybenzylidene)-3-keto-benzothiophen-5-yl]propionitrile Formula: C23H23NO2S MolecularWeight: 377.49922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C2C(=O)C3=C(S2)C=CC(=C3)CCC#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(S2)C=CC(=C3)CCC#N

InChI

InChI=1S/C23H23NO2S/c1-2-3-4-14-26-19-10-7-18(8-11-19)16-22-23(25)20-15-17(6-5-13-24)9-12-21(20)27-22/h7-12,15-16H,2-6,14H2,1H3/b22-16-