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

Systemtic Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]indole-2-carboxylic acid Openeye Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]indole-2-carboxylic acid CAS Name: 1-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]-2-indolecarboxylic acid IUPAC Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]indole-2-carboxylic acid Traditional Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]indole-2-carboxylic acid Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CN4C5=CC=CC=C5C=C4C(=O)O

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CN4C5=CC=CC=C5C=C4C(=O)O

InChI

InChI=1S/C25H22N2O3S/c1-25(2,3)22-14-31-23(26-22)21-12-17-10-15(8-9-20(17)30-21)13-27-18-7-5-4-6-16(18)11-19(27)24(28)29/h4-12,14H,13H2,1-3H3,(H,28,29)