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

Systemtic Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-5-(4-ethoxy-4-oxidanylidene-butoxy)indole-3-carboxylic acid Openeye Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-5-(4-ethoxy-4-oxo-butoxy)indole-3-carboxylic acid CAS Name: 1-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]-5-(4-ethoxy-4-oxobutoxy)-3-indolecarboxylic acid IUPAC Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-5-(4-ethoxy-4-oxobutoxy)indole-3-carboxylic acid Traditional Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-5-(4-ethoxy-4-keto-butoxy)indole-3-carboxylic acid Formula: C31H32N2O6S MolecularWeight: 560.66058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC2=C(C=C1)N(C=C2C(=O)O)CC3=CC4=C(C=C3)OC(=C4)C5=NC(=CS5)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCCOC1=CC2=C(C=C1)N(C=C2C(=O)O)CC3=CC4=C(C=C3)OC(=C4)C5=NC(=CS5)C(C)(C)C

InChI

InChI=1S/C31H32N2O6S/c1-5-37-28(34)7-6-12-38-21-9-10-24-22(15-21)23(30(35)36)17-33(24)16-19-8-11-25-20(13-19)14-26(39-25)29-32-27(18-40-29)31(2,3)4/h8-11,13-15,17-18H,5-7,12,16H2,1-4H3,(H,35,36)