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

Systemtic Name: 2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxysulfanyl)phenoxy]-1-benzothiophen-6-ol hydrochloride Openeye Name: 2-(4-methoxyphenyl)-3-[4-[2-(1-piperidyl)ethoxysulfanyl]phenoxy]benzothiophen-6-ol hydrochloride CAS Name: 4-[[6-hydroxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]benzenesulfenic acid 2-(1-piperidinyl)ethyl ester hydrochloride IUPAC Name: 2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxysulfanyl)phenoxy]-1-benzothiophen-6-ol hydrochloride Traditional Name: 2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxythio)phenoxy]benzothiophen-6-ol hydrochloride Formula: C28H30ClNO4S2 MolecularWeight: 544.1251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)SOCCN5CCCCC5.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)SOCCN5CCCCC5.Cl

InChI

InChI=1S/C28H29NO4S2.ClH/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-23-10-12-24(13-11-23)35-32-18-17-29-15-3-2-4-16-29;/h5-14,19,30H,2-4,15-18H2,1H3;1H