2-[(5-carboxyfuran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(5-carboxyfuran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(5-carboxy-2-furyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(5-carboxy-2-furanyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(5-carboxyfuran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(5-carboxy-2-furyl)methylthio]nicotinic acid Formula: C12H9NO5S MolecularWeight: 279.26856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(O2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(O2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H9NO5S/c14-11(15)8-2-1-5-13-10(8)19-6-7-3-4-9(18-7)12(16)17/h1-5H,6H2,(H,14,15)(H,16,17)