2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylpyridine-4-carboxylic acid

Systemtic Name: 2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylpyridine-4-carboxylic acid Openeye Name: 2-(2-methoxy-2-oxo-ethyl)sulfanylpyridine-4-carboxylic acid CAS Name: 2-[(2-methoxy-2-oxoethyl)thio]-4-pyridinecarboxylic acid IUPAC Name: 2-(2-methoxy-2-oxoethyl)sulfanylpyridine-4-carboxylic acid Traditional Name: 2-[(2-keto-2-methoxy-ethyl)thio]isonicotinic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=CC(=C1)C(=O)O

Isomeric SMILES

COC(=O)CSC1=NC=CC(=C1)C(=O)O

InChI

InChI=1S/C9H9NO4S/c1-14-8(11)5-15-7-4-6(9(12)13)2-3-10-7/h2-4H,5H2,1H3,(H,12,13)