2-chloranyl-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyridine-4-carboxylic acid

Systemtic Name: 2-chloranyl-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyridine-4-carboxylic acid Openeye Name: 2-chloro-6-(2-methoxy-2-oxo-ethyl)sulfanyl-pyridine-4-carboxylic acid CAS Name: 2-chloro-6-[(2-methoxy-2-oxoethyl)thio]-4-pyridinecarboxylic acid IUPAC Name: 2-chloro-6-(2-methoxy-2-oxoethyl)sulfanylpyridine-4-carboxylic acid Traditional Name: 2-chloro-6-[(2-keto-2-methoxy-ethyl)thio]isonicotinic acid Formula: C9H8ClNO4S MolecularWeight: 261.68212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClNO4S/c1-15-8(12)4-16-7-3-5(9(13)14)2-6(10)11-7/h2-3H,4H2,1H3,(H,13,14)