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

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

Click to see the large picture

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)SOCCN5CCCCC5.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)OC4=CC=C(C=C4)SOCCN5CCCCC5.Cl

InChI

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