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

Systemtic Name: 2-(3-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol hydrochloride Openeye Name: 2-(3-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzothiophen-6-ol hydrochloride CAS Name: 2-(3-hydroxyphenyl)-3-[4-[2-(1-pyrrolidinyl)ethoxy]phenoxy]-1-benzothiophen-6-ol hydrochloride IUPAC Name: 2-(3-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol hydrochloride Traditional Name: 2-(3-hydroxyphenyl)-3-[4-(2-pyrrolidinoethoxy)phenoxy]benzothiophen-6-ol hydrochloride Formula: C26H26ClNO4S MolecularWeight: 484.00694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC(=CC=C5)O.Cl

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC(=CC=C5)O.Cl

InChI

InChI=1S/C26H25NO4S.ClH/c28-19-5-3-4-18(16-19)26-25(23-11-6-20(29)17-24(23)32-26)31-22-9-7-21(8-10-22)30-15-14-27-12-1-2-13-27;/h3-11,16-17,28-29H,1-2,12-15H2;1H