2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(methylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(methylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(methylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(methylamino)ethyl]thio]nicotinic acid Formula: C9H10N2O3S MolecularWeight: 226.2523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O3S/c1-10-7(12)5-15-8-6(9(13)14)3-2-4-11-8/h2-4H,5H2,1H3,(H,10,12)(H,13,14)