9-[8-(1-benzothiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol

Systemtic Name: 9-[8-(1-benzothiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol Openeye Name: 9-[8-(benzothiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol CAS Name: 9-[8-(1-benzothiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]-4-xanthenol IUPAC Name: 9-[8-(1-benzothiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol Traditional Name: 9-[8-(benzothiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol Formula: C29H25NO2S MolecularWeight: 451.5793

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=C3C4=C(C(=CC=C4)O)OC5=CC=CC=C53)CC1N2CC6=CSC7=CC=CC=C76

Isomeric SMILES

C1CC2CC(=C3C4=C(C(=CC=C4)O)OC5=CC=CC=C53)CC1N2CC6=CSC7=CC=CC=C76

InChI

InChI=1S/C29H25NO2S/c31-25-9-5-8-24-28(23-7-1-3-10-26(23)32-29(24)25)18-14-20-12-13-21(15-18)30(20)16-19-17-33-27-11-4-2-6-22(19)27/h1-11,17,20-21,31H,12-16H2