3-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(2-pyridylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-[(2-pyridinylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(2-pyridylthio)methyl]coumarilic acid Formula: C15H11NO3S MolecularWeight: 285.31774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO3S/c17-15(18)14-11(9-20-13-7-3-4-8-16-13)10-5-1-2-6-12(10)19-14/h1-8H,9H2,(H,17,18)