6-methoxy-2-(phenylmethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 6-methoxy-2-(phenylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-benzylsulfanyl-6-methoxy-pyridine-3-carboxylic acid CAS Name: 6-methoxy-2-(phenylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-benzylsulfanyl-6-methoxypyridine-3-carboxylic acid Traditional Name: 2-(benzylthio)-6-methoxy-nicotinic acid Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C14H13NO3S/c1-18-12-8-7-11(14(16)17)13(15-12)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17)