4-[[3-[2-(5-fluoranyl-2-phenylmethoxy-phenyl)-2-oxidanylidene-ethoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[2-(5-fluoranyl-2-phenylmethoxy-phenyl)-2-oxidanylidene-ethoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[3-[2-(2-benzyloxy-5-fluoro-phenyl)-2-oxo-ethoxy]benzothiophene-2-carbonyl]benzonitrile CAS Name: 4-[[3-[2-(5-fluoro-2-phenylmethoxyphenyl)-2-oxoethoxy]-1-benzothiophen-2-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-[2-(5-fluoro-2-phenylmethoxyphenyl)-2-oxoethoxy]-1-benzothiophene-2-carbonyl]benzonitrile Traditional Name: 4-[3-[2-(2-benzoxy-5-fluoro-phenyl)-2-keto-ethoxy]benzothiophene-2-carbonyl]benzonitrile Formula: C31H20FNO4S MolecularWeight: 521.558203

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H20FNO4S/c32-23-14-15-27(36-18-21-6-2-1-3-7-21)25(16-23)26(34)19-37-30-24-8-4-5-9-28(24)38-31(30)29(35)22-12-10-20(17-33)11-13-22/h1-16H,18-19H2