2-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(methylamino)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(methylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-1-methyl-2-(methylamino)ethyl]thio]nicotinic acid Formula: C10H12N2O3S MolecularWeight: 240.27888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)SC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(C(=O)NC)SC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C10H12N2O3S/c1-6(8(13)11-2)16-9-7(10(14)15)4-3-5-12-9/h3-6H,1-2H3,(H,11,13)(H,14,15)