4-[6-methoxy-3-[4-(2-pyrrolidin-1-ylethoxysulfanyl)phenoxy]-1-benzothiophen-2-yl]phenol hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)OC4=CC=C(C=C4)SOCCN5CCCC5.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)OC4=CC=C(C=C4)SOCCN5CCCC5.Cl

InChI

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