2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenoxy]acetonitrile CAS Name: 2-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]acetonitrile Traditional Name: 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenoxy]acetonitrile Formula: C23H15NO4S MolecularWeight: 401.4345

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCC#N)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCC#N)O

InChI

InChI=1S/C23H15NO4S/c24-11-12-28-18-8-3-14(4-9-18)22(27)21-19-10-7-17(26)13-20(19)29-23(21)15-1-5-16(25)6-2-15/h1-10,13,25-26H,12H2