2-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(5,6,7-trimethoxy-3-oxo-1H-2-benzofuran-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(3-keto-5,6,7-trimethoxy-phthalan-4-yl)methylthio]nicotinic acid Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=C(C=CC=N3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=C(C=CC=N3)C(=O)O)OC)OC

InChI

InChI=1S/C18H17NO7S/c1-23-13-10-7-26-18(22)12(10)11(14(24-2)15(13)25-3)8-27-16-9(17(20)21)5-4-6-19-16/h4-6H,7-8H2,1-3H3,(H,20,21)