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

Systemtic Name: 3-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-cyano-indol-5-yl]propanoic acid Openeye Name: 3-[1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-3-cyano-indol-5-yl]propanoic acid CAS Name: 3-[1-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]-3-cyano-5-indolyl]propanoic acid IUPAC Name: 3-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-cyanoindol-5-yl]propanoic acid Traditional Name: 3-[1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-3-cyano-indol-5-yl]propionic acid Formula: C28H25N3O3S MolecularWeight: 483.5814

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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)CCC(=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)CCC(=O)O)C#N

InChI

InChI=1S/C28H25N3O3S/c1-28(2,3)25-16-35-27(30-25)24-12-19-10-18(5-8-23(19)34-24)14-31-15-20(13-29)21-11-17(4-7-22(21)31)6-9-26(32)33/h4-5,7-8,10-12,15-16H,6,9,14H2,1-3H3,(H,32,33)