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

Systemtic Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]carbonyl]indole-3-carboxylic acid Openeye Name: 1-[2-(4-tert-butylthiazol-2-yl)benzofuran-5-carbonyl]indole-3-carboxylic acid CAS Name: 1-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]-oxomethyl]-3-indolecarboxylic acid IUPAC Name: 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-carbonyl]indole-3-carboxylic acid Traditional Name: 1-[2-(4-tert-butylthiazol-2-yl)benzofuran-5-carbonyl]indole-3-carboxylic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)C(=O)N4C=C(C5=CC=CC=C54)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)C(=O)N4C=C(C5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C25H20N2O4S/c1-25(2,3)21-13-32-22(26-21)20-11-15-10-14(8-9-19(15)31-20)23(28)27-12-17(24(29)30)16-6-4-5-7-18(16)27/h4-13H,1-3H3,(H,29,30)