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

Systemtic Name: 4-[[3-[2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[3-[2-(4-benzyloxyphenyl)-2-oxo-ethoxy]benzothiophene-2-carbonyl]benzonitrile CAS Name: 4-[oxo-[3-[2-oxo-2-(4-phenylmethoxyphenyl)ethoxy]-1-benzothiophen-2-yl]methyl]benzonitrile IUPAC Name: 4-[3-[2-oxo-2-(4-phenylmethoxyphenyl)ethoxy]-1-benzothiophene-2-carbonyl]benzonitrile Traditional Name: 4-[3-[2-(4-benzoxyphenyl)-2-keto-ethoxy]benzothiophene-2-carbonyl]benzonitrile Formula: C31H21NO4S MolecularWeight: 503.56774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC3=C(SC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC3=C(SC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H21NO4S/c32-18-21-10-12-24(13-11-21)29(34)31-30(26-8-4-5-9-28(26)37-31)36-20-27(33)23-14-16-25(17-15-23)35-19-22-6-2-1-3-7-22/h1-17H,19-20H2