2-(1-benzofuran-2-ylcarbonylamino)-4-(6-ethoxypyridin-3-yl)thiophene-3-carboxylic acid

Systemtic Name: 2-(1-benzofuran-2-ylcarbonylamino)-4-(6-ethoxypyridin-3-yl)thiophene-3-carboxylic acid Openeye Name: 2-(benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridyl)thiophene-3-carboxylic acid CAS Name: 2-[[2-benzofuranyl(oxo)methyl]amino]-4-(6-ethoxy-3-pyridinyl)-3-thiophenecarboxylic acid IUPAC Name: 2-(1-benzofuran-2-carbonylamino)-4-(6-ethoxypyridin-3-yl)thiophene-3-carboxylic acid Traditional Name: 2-(benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridyl)-3-thenoic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=NC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H16N2O5S/c1-2-27-17-8-7-13(10-22-17)14-11-29-20(18(14)21(25)26)23-19(24)16-9-12-5-3-4-6-15(12)28-16/h3-11H,2H2,1H3,(H,23,24)(H,25,26)