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

Systemtic Name: 1-[2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]-2-oxidanylidene-ethyl]indole-3-carboxylic acid Openeye Name: 1-[2-[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]-2-oxo-ethyl]indole-3-carboxylic acid CAS Name: 1-[2-[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]-2-oxoethyl]-3-indolecarboxylic acid IUPAC Name: 1-[2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]-2-oxoethyl]indole-3-carboxylic acid Traditional Name: 1-[2-[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]-2-keto-ethyl]indole-3-carboxylic acid Formula: C26H22N2O4S MolecularWeight: 458.52888

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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)CN4C=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)CN4C=C(C5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C26H22N2O4S/c1-26(2,3)23-14-33-24(27-23)22-11-16-10-15(8-9-21(16)32-22)20(29)13-28-12-18(25(30)31)17-6-4-5-7-19(17)28/h4-12,14H,13H2,1-3H3,(H,30,31)