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

Systemtic Name: 2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NCCC#N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NCCC#N)C(=O)O

InChI

InChI=1S/C11H11N3O3S/c12-4-2-6-13-9(15)7-18-10-8(11(16)17)3-1-5-14-10/h1,3,5H,2,6-7H2,(H,13,15)(H,16,17)