3-(2-oxidanylidenepropylsulfanyl)pyridine-2-carboxylic acid

Systemtic Name: 3-(2-oxidanylidenepropylsulfanyl)pyridine-2-carboxylic acid Openeye Name: 3-acetonylsulfanylpyridine-2-carboxylic acid CAS Name: 3-(2-oxopropylthio)-2-pyridinecarboxylic acid IUPAC Name: 3-(2-oxopropylsulfanyl)pyridine-2-carboxylic acid Traditional Name: 3-(acetonylthio)picolinic acid Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(N=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)CSC1=C(N=CC=C1)C(=O)O

InChI

InChI=1S/C9H9NO3S/c1-6(11)5-14-7-3-2-4-10-8(7)9(12)13/h2-4H,5H2,1H3,(H,12,13)