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

Systemtic Name: 2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxysulfanyl)phenoxy]-1-benzothiophen-6-ol Openeye Name: 2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxysulfanyl)phenoxy]benzothiophen-6-ol CAS Name: 4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy]benzenesulfenic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxysulfanyl)phenoxy]-1-benzothiophen-6-ol Traditional Name: 2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidinoethoxythio)phenoxy]benzothiophen-6-ol Formula: C26H25NO4S2 MolecularWeight: 479.611

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOSC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(C1)CCOSC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C26H25NO4S2/c28-19-5-3-18(4-6-19)26-25(23-12-7-20(29)17-24(23)32-26)31-21-8-10-22(11-9-21)33-30-16-15-27-13-1-2-14-27/h3-12,17,28-29H,1-2,13-16H2