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

Systemtic Name: 2-[1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(1,1-dimethylpropylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(tert-amylamino)-2-keto-1-methyl-ethyl]thio]nicotinic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-5-14(3,4)16-11(17)9(2)20-12-10(13(18)19)7-6-8-15-12/h6-9H,5H2,1-4H3,(H,16,17)(H,18,19)