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

Systemtic Name: 2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]thiazole-4-carboxylic acid Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CC4=NC(=CS4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C20H18N2O3S2/c1-20(2,3)16-10-27-18(22-16)15-8-12-6-11(4-5-14(12)25-15)7-17-21-13(9-26-17)19(23)24/h4-6,8-10H,7H2,1-3H3,(H,23,24)