2-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(benzofuran-2-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2-benzofuranyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(benzofuran-2-yl)-2-keto-ethyl]thio]nicotinic acid Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H11NO4S/c18-12(14-8-10-4-1-2-6-13(10)21-14)9-22-15-11(16(19)20)5-3-7-17-15/h1-8H,9H2,(H,19,20)