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

Systemtic Name: 3-[[4-[2-(azepan-1-yl)ethoxy]phenyl]-oxidanyl-methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol Openeye Name: 3-[[4-[2-(azepan-1-yl)ethoxy]phenyl]-hydroxy-methyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol CAS Name: 3-[[4-[2-(1-azepanyl)ethoxy]phenyl]-hydroxymethyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol IUPAC Name: 3-[[4-[2-(azepan-1-yl)ethoxy]phenyl]-hydroxymethyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol Traditional Name: 3-[[4-[2-(azepan-1-yl)ethoxy]phenyl]-hydroxy-methyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)C(C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)O

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)C(C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)O

InChI

InChI=1S/C29H31NO4S/c31-22-9-5-21(6-10-22)29-27(25-14-11-23(32)19-26(25)35-29)28(33)20-7-12-24(13-8-20)34-18-17-30-15-3-1-2-4-16-30/h5-14,19,28,31-33H,1-4,15-18H2