2-methoxy-3-(phenylmethylsulfanyl)pyridine-4-carboxylic acid

Systemtic Name: 2-methoxy-3-(phenylmethylsulfanyl)pyridine-4-carboxylic acid Openeye Name: 3-benzylsulfanyl-2-methoxy-pyridine-4-carboxylic acid CAS Name: 2-methoxy-3-(phenylmethylthio)-4-pyridinecarboxylic acid IUPAC Name: 3-benzylsulfanyl-2-methoxypyridine-4-carboxylic acid Traditional Name: 3-(benzylthio)-2-methoxy-isonicotinic acid Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=NC=CC(=C1SCC2=CC=CC=C2)C(=O)O

InChI

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