2-(4-hydroxyphenyl)-3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol hydrochloride

Systemtic Name: 2-(4-hydroxyphenyl)-3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol hydrochloride Openeye Name: 2-(4-hydroxyphenyl)-3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol hydrochloride CAS Name: 2-(4-hydroxyphenyl)-3-[3-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-6-ol hydrochloride IUPAC Name: 2-(4-hydroxyphenyl)-3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol hydrochloride Traditional Name: 2-(4-hydroxyphenyl)-3-[3-(2-pyrrolidinoethoxy)phenyl]benzothiophen-6-ol hydrochloride Formula: C26H26ClNO3S MolecularWeight: 468.00754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=CC(=C2)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

Isomeric SMILES

C1CCN(C1)CCOC2=CC=CC(=C2)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C26H25NO3S.ClH/c28-20-8-6-18(7-9-20)26-25(23-11-10-21(29)17-24(23)31-26)19-4-3-5-22(16-19)30-15-14-27-12-1-2-13-27;/h3-11,16-17,28-29H,1-2,12-15H2;1H