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

Systemtic Name: 2-(4-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxysulfanyl)phenoxy]-1-benzothiophen-6-ol hydrochloride Openeye Name: 2-(4-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxysulfanyl)phenoxy]benzothiophen-6-ol hydrochloride CAS Name: 4-[[6-hydroxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]benzenesulfenic acid 2-(1-pyrrolidinyl)ethyl ester hydrochloride IUPAC Name: 2-(4-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxysulfanyl)phenoxy]-1-benzothiophen-6-ol hydrochloride Traditional Name: 2-(4-methoxyphenyl)-3-[4-(2-pyrrolidinoethoxythio)phenoxy]benzothiophen-6-ol hydrochloride Formula: C27H28ClNO4S2 MolecularWeight: 530.09852

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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)SOCCN5CCCC5.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)SOCCN5CCCC5.Cl

InChI

InChI=1S/C27H27NO4S2.ClH/c1-30-21-7-4-19(5-8-21)27-26(24-13-6-20(29)18-25(24)33-27)32-22-9-11-23(12-10-22)34-31-17-16-28-14-2-3-15-28;/h4-13,18,29H,2-3,14-17H2,1H3;1H