2,6-dimethoxy-3-(phenylmethylsulfanyl)pyridine-4-carboxylic acid

Systemtic Name: 2,6-dimethoxy-3-(phenylmethylsulfanyl)pyridine-4-carboxylic acid Openeye Name: 3-benzylsulfanyl-2,6-dimethoxy-pyridine-4-carboxylic acid CAS Name: 2,6-dimethoxy-3-(phenylmethylthio)-4-pyridinecarboxylic acid IUPAC Name: 3-benzylsulfanyl-2,6-dimethoxypyridine-4-carboxylic acid Traditional Name: 3-(benzylthio)-2,6-dimethoxy-isonicotinic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO4S/c1-19-12-8-11(15(17)18)13(14(16-12)20-2)21-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,17,18)