[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(6-pyrrolidin-1-ylhexoxy)phenyl]methanone

Systemtic Name: [2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(6-pyrrolidin-1-ylhexoxy)phenyl]methanone Openeye Name: [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-(6-pyrrolidin-1-ylhexoxy)phenyl]methanone CAS Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-[6-(1-pyrrolidinyl)hexoxy]phenyl]methanone IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(6-pyrrolidin-1-ylhexoxy)phenyl]methanone Traditional Name: [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-(6-pyrrolidinohexoxy)phenyl]methanone Formula: C31H33NO4S MolecularWeight: 515.66302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCCCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(C1)CCCCCCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C31H33NO4S/c33-24-11-7-23(8-12-24)31-29(27-16-13-25(34)21-28(27)37-31)30(35)22-9-14-26(15-10-22)36-20-6-2-1-3-17-32-18-4-5-19-32/h7-16,21,33-34H,1-6,17-20H2