5-chloranyl-6-(furan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-(furan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-(2-furylmethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 5-chloro-6-(2-furanylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-(furan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 5-chloro-6-(2-furfurylthio)nicotinic acid Formula: C11H8ClNO3S MolecularWeight: 269.70412

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSC2=C(C=C(C=N2)C(=O)O)Cl

Isomeric SMILES

C1=COC(=C1)CSC2=C(C=C(C=N2)C(=O)O)Cl

InChI

InChI=1S/C11H8ClNO3S/c12-9-4-7(11(14)15)5-13-10(9)17-6-8-2-1-3-16-8/h1-5H,6H2,(H,14,15)