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

Systemtic Name: 4-[[3-[2-(2-methoxyphenyl)-2-oxidanylidene-ethoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[3-[2-(2-methoxyphenyl)-2-oxo-ethoxy]benzothiophene-2-carbonyl]benzonitrile CAS Name: 4-[[3-[2-(2-methoxyphenyl)-2-oxoethoxy]-1-benzothiophen-2-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-[2-(2-methoxyphenyl)-2-oxoethoxy]-1-benzothiophene-2-carbonyl]benzonitrile Traditional Name: 4-[3-[2-keto-2-(2-methoxyphenyl)ethoxy]benzothiophene-2-carbonyl]benzonitrile Formula: C25H17NO4S MolecularWeight: 427.47178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)COC2=C(SC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)COC2=C(SC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H17NO4S/c1-29-21-8-4-2-6-18(21)20(27)15-30-24-19-7-3-5-9-22(19)31-25(24)23(28)17-12-10-16(14-26)11-13-17/h2-13H,15H2,1H3