2-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethanenitrile

Systemtic Name: 2-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethanenitrile Openeye Name: 2-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-2-[4-[2-(1-piperidyl)ethoxy]phenyl]acetonitrile CAS Name: 2-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]acetonitrile IUPAC Name: 2-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]acetonitrile Traditional Name: 2-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-2-[4-(2-piperidinoethoxy)phenyl]acetonitrile Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C(C#N)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(C#N)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C29H28N2O3S/c30-19-26(20-6-11-24(12-7-20)34-17-16-31-14-2-1-3-15-31)28-25-13-10-23(33)18-27(25)35-29(28)21-4-8-22(32)9-5-21/h4-13,18,26,32-33H,1-3,14-17H2