3-[(4-methoxyphenyl)-thiophen-3-yl-methylidene]-8-phenethyl-8-azabicyclo[3.2.1]octane

Systemtic Name: 3-[(4-methoxyphenyl)-thiophen-3-yl-methylidene]-8-phenethyl-8-azabicyclo[3.2.1]octane Openeye Name: 3-[(4-methoxyphenyl)-(3-thienyl)methylene]-8-phenethyl-8-azabicyclo[3.2.1]octane CAS Name: 3-[(4-methoxyphenyl)-(3-thiophenyl)methylidene]-8-phenethyl-8-azabicyclo[3.2.1]octane IUPAC Name: 3-[(4-methoxyphenyl)-thiophen-3-ylmethylidene]-8-phenethyl-8-azabicyclo[3.2.1]octane Traditional Name: 3-[(4-methoxyphenyl)-(3-thienyl)methylene]-8-phenethyl-8-azabicyclo[3.2.1]octane Formula: C27H29NOS MolecularWeight: 415.59026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C2CC3CCC(C2)N3CCC4=CC=CC=C4)C5=CSC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=C2CC3CCC(C2)N3CCC4=CC=CC=C4)C5=CSC=C5

InChI

InChI=1S/C27H29NOS/c1-29-26-11-7-21(8-12-26)27(22-14-16-30-19-22)23-17-24-9-10-25(18-23)28(24)15-13-20-5-3-2-4-6-20/h2-8,11-12,14,16,19,24-25H,9-10,13,15,17-18H2,1H3