4-[4-[6-oxidanyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile

Systemtic Name: 4-[4-[6-oxidanyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile Openeye Name: 4-[4-[6-hydroxy-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenoxy]butanenitrile CAS Name: 4-[4-[6-hydroxy-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile IUPAC Name: 4-[4-[6-hydroxy-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile Traditional Name: 4-[4-[6-hydroxy-3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenoxy]butyronitrile Formula: C31H32N2O3S MolecularWeight: 512.66238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OCCCC#N

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OCCCC#N

InChI

InChI=1S/C31H32N2O3S/c32-15-1-4-19-35-27-12-7-24(8-13-27)31-29(28-14-9-25(34)22-30(28)37-31)21-23-5-10-26(11-6-23)36-20-18-33-16-2-3-17-33/h5-14,22,34H,1-4,16-21H2