5-methoxycarbonyl-3-methylsulfanyl-pyridine-2-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-3-methylsulfanyl-pyridine-2-carboxylic acid Openeye Name: 5-methoxycarbonyl-3-methylsulfanyl-pyridine-2-carboxylic acid CAS Name: 5-methoxycarbonyl-3-(methylthio)-2-pyridinecarboxylic acid IUPAC Name: 5-methoxycarbonyl-3-methylsulfanylpyridine-2-carboxylic acid Traditional Name: 5-carbomethoxy-3-(methylthio)picolinic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)C(=O)O)SC

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)C(=O)O)SC

InChI

InChI=1S/C9H9NO4S/c1-14-9(13)5-3-6(15-2)7(8(11)12)10-4-5/h3-4H,1-2H3,(H,11,12)