(2-butyl-5-methyl-1H-imidazol-4-yl) 2-[[3-[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]thiophen-2-yl]methyl]prop-2-enoate

Systemtic Name: (2-butyl-5-methyl-1H-imidazol-4-yl) 2-[[3-[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]thiophen-2-yl]methyl]prop-2-enoate Openeye Name: (2-butyl-5-methyl-1H-imidazol-4-yl) 2-[[3-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]-2-thienyl]methyl]prop-2-enoate CAS Name: 2-[[3-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]-2-thiophenyl]methyl]-2-propenoic acid (2-butyl-5-methyl-1H-imidazol-4-yl) ester IUPAC Name: (2-butyl-5-methyl-1H-imidazol-4-yl) 2-[[3-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]thiophen-2-yl]methyl]prop-2-enoate Traditional Name: 2-[[3-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]-2-thienyl]methyl]acrylic acid (2-butyl-5-methyl-1H-imidazol-4-yl) ester Formula: C31H27BrN6O3S MolecularWeight: 643.55348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1)C)OC(=O)C(=C)CC2=C(C=CS2)C3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C6=NNN=N6

Isomeric SMILES

CCCCC1=NC(=C(N1)C)OC(=O)C(=C)CC2=C(C=CS2)C3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C6=NNN=N6

InChI

InChI=1S/C31H27BrN6O3S/c1-4-5-10-26-33-18(3)30(34-26)41-31(39)17(2)15-25-20(13-14-42-25)19-11-12-24-23(16-19)27(32)28(40-24)21-8-6-7-9-22(21)29-35-37-38-36-29/h6-9,11-14,16H,2,4-5,10,15H2,1,3H3,(H,33,34)(H,35,36,37,38)