5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-benzofuran-7-carboxylic acid

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-benzofuran-7-carboxylic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-methyl-benzofuran-7-carboxylic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-methyl-7-benzofurancarboxylic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-benzofuran-7-carboxylic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-methyl-benzofuran-7-carboxylic acid Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C4C(=C3)C=C(O4)C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C4C(=C3)C=C(O4)C)C(=O)O)OCC

InChI

InChI=1S/C23H21NO5S/c1-4-27-19-7-6-14(11-20(19)28-5-2)22-24-18(12-30-22)15-9-16-8-13(3)29-21(16)17(10-15)23(25)26/h6-12H,4-5H2,1-3H3,(H,25,26)