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

Systemtic Name: 2-[3-(methylcarbamoylamino)-3-oxidanylidene-propyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[3-(methylcarbamoylamino)-3-oxo-propyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[3-(methylcarbamoylamino)-3-oxopropyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(methylcarbamoylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[3-keto-3-(methylcarbamoylamino)propyl]thio]nicotinic acid Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)CCSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CNC(=O)NC(=O)CCSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C11H13N3O4S/c1-12-11(18)14-8(15)4-6-19-9-7(10(16)17)3-2-5-13-9/h2-3,5H,4,6H2,1H3,(H,16,17)(H2,12,14,15,18)