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

Systemtic Name: 2-[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(methylcarbamoylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(methylcarbamoylamino)ethyl]thio]nicotinic acid Formula: C10H11N3O4S MolecularWeight: 269.27704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O4S/c1-11-10(17)13-7(14)5-18-8-6(9(15)16)3-2-4-12-8/h2-4H,5H2,1H3,(H,15,16)(H2,11,13,14,17)