(5-methyl-2-pentan-3-yl-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: (5-methyl-2-pentan-3-yl-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-(1-ethylpropyl)-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 (5-methyl-2-pentan-3-yl-1H-imidazol-4-yl) ester IUPAC Name: (5-methyl-2-pentan-3-yl-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-(1-ethylpropyl)-5-methyl-1H-imidazol-4-yl] ester Formula: C32H29BrN6O3S MolecularWeight: 657.58006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=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

CCC(CC)C1=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/C32H29BrN6O3S/c1-5-19(6-2)29-34-18(4)31(35-29)42-32(40)17(3)15-26-21(13-14-43-26)20-11-12-25-24(16-20)27(33)28(41-25)22-9-7-8-10-23(22)30-36-38-39-37-30/h7-14,16,19H,3,5-6,15H2,1-2,4H3,(H,34,35)(H,36,37,38,39)