2-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-cyano-indol-5-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-cyano-indol-5-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-3-cyano-indol-5-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[1-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]-3-cyano-5-indolyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-cyanoindol-5-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-3-cyano-indol-5-yl]oxy-2-methyl-propionic acid Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CN4C=C(C5=C4C=CC(=C5)OC(C)(C)C(=O)O)C#N

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CN4C=C(C5=C4C=CC(=C5)OC(C)(C)C(=O)O)C#N

InChI

InChI=1S/C29H27N3O4S/c1-28(2,3)25-16-37-26(31-25)24-11-18-10-17(6-9-23(18)35-24)14-32-15-19(13-30)21-12-20(7-8-22(21)32)36-29(4,5)27(33)34/h6-12,15-16H,14H2,1-5H3,(H,33,34)