6-[[2-methyl-4-(2-thiophen-3-ylethoxy)-1-benzofuran-6-yl]carbonylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[2-methyl-4-(2-thiophen-3-ylethoxy)-1-benzofuran-6-yl]carbonylamino]pyridine-3-carboxylic acid Openeye Name: 6-[[2-methyl-4-[2-(3-thienyl)ethoxy]benzofuran-6-carbonyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[[2-methyl-4-[2-(3-thiophenyl)ethoxy]-6-benzofuranyl]-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[2-methyl-4-(2-thiophen-3-ylethoxy)-1-benzofuran-6-carbonyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[2-methyl-4-[2-(3-thienyl)ethoxy]benzofuran-6-carbonyl]amino]nicotinic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=C(C=C2OCCC3=CSC=C3)C(=O)NC4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(O1)C=C(C=C2OCCC3=CSC=C3)C(=O)NC4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18N2O5S/c1-13-8-17-18(28-6-4-14-5-7-30-12-14)9-16(10-19(17)29-13)21(25)24-20-3-2-15(11-23-20)22(26)27/h2-3,5,7-12H,4,6H2,1H3,(H,26,27)(H,23,24,25)