2-(4-hydroxyphenyl)-3-[[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-oxidanyl-methyl]-1-benzothiophen-6-ol

Systemtic Name: 2-(4-hydroxyphenyl)-3-[[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-oxidanyl-methyl]-1-benzothiophen-6-ol Openeye Name: 3-[hydroxy-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol CAS Name: 3-[hydroxy-[4-[2-(3-methyl-1-pyrrolidinyl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol IUPAC Name: 3-[hydroxy-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol Traditional Name: 3-[hydroxy-[4-[2-(3-methylpyrrolidino)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)CCOC2=CC=C(C=C2)C(C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)O

Isomeric SMILES

CC1CCN(C1)CCOC2=CC=C(C=C2)C(C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)O

InChI

InChI=1S/C28H29NO4S/c1-18-12-13-29(17-18)14-15-33-23-9-4-19(5-10-23)27(32)26-24-11-8-22(31)16-25(24)34-28(26)20-2-6-21(30)7-3-20/h2-11,16,18,27,30-32H,12-15,17H2,1H3