2-[4-[[2,6-bis(2-thiophen-2-ylethynyl)pyridin-4-yl]methoxy]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[2,6-bis(2-thiophen-2-ylethynyl)pyridin-4-yl]methoxy]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[[2,6-bis[2-(2-thienyl)ethynyl]-4-pyridyl]methoxy]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[2,6-bis(2-thiophen-2-ylethynyl)-4-pyridinyl]methoxy]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[[2,6-bis(2-thiophen-2-ylethynyl)pyridin-4-yl]methoxy]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[2,6-bis[2-(2-thienyl)ethynyl]-4-pyridyl]methoxy]-2-methyl-phenoxy]acetic acid Formula: C27H19NO4S2 MolecularWeight: 485.57406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC(=NC(=C2)C#CC3=CC=CS3)C#CC4=CC=CS4)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC(=NC(=C2)C#CC3=CC=CS3)C#CC4=CC=CS4)OCC(=O)O

InChI

InChI=1S/C27H19NO4S2/c1-19-14-23(8-11-26(19)32-18-27(29)30)31-17-20-15-21(6-9-24-4-2-12-33-24)28-22(16-20)7-10-25-5-3-13-34-25/h2-5,8,11-16H,17-18H2,1H3,(H,29,30)