2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxysulfanyl)phenoxy]-1-benzothiophen-6-ol hydrochloride

Systemtic Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxysulfanyl)phenoxy]-1-benzothiophen-6-ol hydrochloride Openeye Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidyl)ethoxysulfanyl]phenoxy]benzothiophen-6-ol hydrochloride CAS Name: 4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy]benzenesulfenic acid 2-(1-piperidinyl)ethyl ester hydrochloride IUPAC Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxysulfanyl)phenoxy]-1-benzothiophen-6-ol hydrochloride Traditional Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxythio)phenoxy]benzothiophen-6-ol hydrochloride Formula: C27H28ClNO4S2 MolecularWeight: 530.09852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOSC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

Isomeric SMILES

C1CCN(CC1)CCOSC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C27H27NO4S2.ClH/c29-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-22-9-11-23(12-10-22)34-31-17-16-28-14-2-1-3-15-28;/h4-13,18,29-30H,1-3,14-17H2;1H