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

Systemtic Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-cyano-indole-5-carboxylic acid Openeye Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-3-cyano-indole-5-carboxylic acid CAS Name: 1-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]-3-cyano-5-indolecarboxylic acid IUPAC Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-cyanoindole-5-carboxylic acid Traditional Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-3-cyano-indole-5-carboxylic acid Formula: C26H21N3O3S MolecularWeight: 455.52824

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

InChI

InChI=1S/C26H21N3O3S/c1-26(2,3)23-14-33-24(28-23)22-10-17-8-15(4-7-21(17)32-22)12-29-13-18(11-27)19-9-16(25(30)31)5-6-20(19)29/h4-10,13-14H,12H2,1-3H3,(H,30,31)