4-[(2-pyridin-4-yl-1-benzofuran-5-yl)sulfanylmethyl]oxane-4-carboxylic acid

Systemtic Name: 4-[(2-pyridin-4-yl-1-benzofuran-5-yl)sulfanylmethyl]oxane-4-carboxylic acid Openeye Name: 4-[[2-(4-pyridyl)benzofuran-5-yl]sulfanylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[(2-pyridin-4-yl-5-benzofuranyl)thio]methyl]-4-oxanecarboxylic acid IUPAC Name: 4-[(2-pyridin-4-yl-1-benzofuran-5-yl)sulfanylmethyl]oxane-4-carboxylic acid Traditional Name: 4-[[[2-(4-pyridyl)benzofuran-5-yl]thio]methyl]tetrahydropyran-4-carboxylic acid Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CSC2=CC3=C(C=C2)OC(=C3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1COCCC1(CSC2=CC3=C(C=C2)OC(=C3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C20H19NO4S/c22-19(23)20(5-9-24-10-6-20)13-26-16-1-2-17-15(11-16)12-18(25-17)14-3-7-21-8-4-14/h1-4,7-8,11-12H,5-6,9-10,13H2,(H,22,23)