2-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenoxy]acetonitrile Formula: C29H28N2O2S MolecularWeight: 468.60982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCC#N

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCC#N

InChI

InChI=1S/C29H28N2O2S/c30-15-19-32-25-13-9-23(10-14-25)29-27(26-5-1-2-6-28(26)34-29)21-22-7-11-24(12-8-22)33-20-18-31-16-3-4-17-31/h1-2,5-14H,3-4,16-21H2