4-[[3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethoxy]benzothiophene-2-carbonyl]benzonitrile CAS Name: 4-[[3-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-1-benzothiophen-2-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-1-benzothiophene-2-carbonyl]benzonitrile Traditional Name: 4-[3-[2-(3,4-dimethoxyphenyl)-2-keto-ethoxy]benzothiophene-2-carbonyl]benzonitrile Formula: C26H19NO5S MolecularWeight: 457.49776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC2=C(SC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC2=C(SC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C26H19NO5S/c1-30-21-12-11-18(13-22(21)31-2)20(28)15-32-25-19-5-3-4-6-23(19)33-26(25)24(29)17-9-7-16(14-27)8-10-17/h3-13H,15H2,1-2H3