2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2-methoxy-2-oxo-ethyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(2-methoxy-2-oxoethyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-methoxy-2-oxoethyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-keto-2-methoxy-ethyl)thio]nicotinic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

COC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

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