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

Systemtic Name: 4-[[3-(2-naphthalen-2-yl-2-oxidanylidene-ethoxy)-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[3-[2-(2-naphthyl)-2-oxo-ethoxy]benzothiophene-2-carbonyl]benzonitrile CAS Name: 4-[[3-[2-(2-naphthalenyl)-2-oxoethoxy]-1-benzothiophen-2-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-(2-naphthalen-2-yl-2-oxoethoxy)-1-benzothiophene-2-carbonyl]benzonitrile Traditional Name: 4-[3-[2-keto-2-(2-naphthyl)ethoxy]benzothiophene-2-carbonyl]benzonitrile Formula: C28H17NO3S MolecularWeight: 447.50448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)COC3=C(SC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)COC3=C(SC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H17NO3S/c29-16-18-9-11-20(12-10-18)26(31)28-27(23-7-3-4-8-25(23)33-28)32-17-24(30)22-14-13-19-5-1-2-6-21(19)15-22/h1-15H,17H2