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

Systemtic Name: 4-[6-methoxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenol hydrochloride Openeye Name: 4-[6-methoxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzothiophen-2-yl]phenol hydrochloride CAS Name: 4-[6-methoxy-3-[4-[2-(1-pyrrolidinyl)ethoxy]phenoxy]-1-benzothiophen-2-yl]phenol hydrochloride IUPAC Name: 4-[6-methoxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenol hydrochloride Traditional Name: 4-[6-methoxy-3-[4-(2-pyrrolidinoethoxy)phenoxy]benzothiophen-2-yl]phenol hydrochloride Formula: C27H28ClNO4S MolecularWeight: 498.03352

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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)OCCN5CCCC5.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCC5.Cl

InChI

InChI=1S/C27H27NO4S.ClH/c1-30-23-12-13-24-25(18-23)33-27(19-4-6-20(29)7-5-19)26(24)32-22-10-8-21(9-11-22)31-17-16-28-14-2-3-15-28;/h4-13,18,29H,2-3,14-17H2,1H3;1H