3-[[3-bromanyl-4-(dimethylaminomethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol

Systemtic Name: 3-[[3-bromanyl-4-(dimethylaminomethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol Openeye Name: 3-[[3-bromo-4-(dimethylaminomethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol CAS Name: 3-[[3-bromo-4-(dimethylaminomethyl)phenyl]methyl]-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-6-ol IUPAC Name: 3-[[3-bromo-4-(dimethylaminomethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol Traditional Name: 3-[3-bromo-4-(dimethylaminomethyl)benzyl]-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-6-ol Formula: C30H33BrN2O2S MolecularWeight: 565.56422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=C(C=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OCCN5CCCC5)Br

Isomeric SMILES

CN(C)CC1=C(C=C(C=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OCCN5CCCC5)Br

InChI

InChI=1S/C30H33BrN2O2S/c1-32(2)20-23-6-5-21(18-28(23)31)17-27-26-12-9-24(34)19-29(26)36-30(27)22-7-10-25(11-8-22)35-16-15-33-13-3-4-14-33/h5-12,18-19,34H,3-4,13-17,20H2,1-2H3