9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol

Systemtic Name: 9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol Openeye Name: 9-[8-(2-thienylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol CAS Name: 9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]-4-xanthenol IUPAC Name: 9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol Traditional Name: 9-[8-(2-thenyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol Formula: C25H23NO2S MolecularWeight: 401.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=C3C4=C(C(=CC=C4)O)OC5=CC=CC=C53)CC1N2CC6=CC=CS6

Isomeric SMILES

C1CC2CC(=C3C4=C(C(=CC=C4)O)OC5=CC=CC=C53)CC1N2CC6=CC=CS6

InChI

InChI=1S/C25H23NO2S/c27-22-8-3-7-21-24(20-6-1-2-9-23(20)28-25(21)22)16-13-17-10-11-18(14-16)26(17)15-19-5-4-12-29-19/h1-9,12,17-18,27H,10-11,13-15H2