1-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid Formula: C26H20F3NO2S MolecularWeight: 467.50271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CC3=C(C=C2)SC(=C3)C4=CC(=C(C=C4)C5=CC=CC=C5)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CC3=C(C=C2)SC(=C3)C4=CC(=C(C=C4)C5=CC=CC=C5)C(F)(F)F)C(=O)O

InChI

InChI=1S/C26H20F3NO2S/c27-26(28,29)22-11-18(7-8-21(22)17-4-2-1-3-5-17)24-12-19-10-16(6-9-23(19)33-24)13-30-14-20(15-30)25(31)32/h1-12,20H,13-15H2,(H,31,32)