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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-4-6-9(2)16-12(17)10(3)20-13-11(14(18)19)7-5-8-15-13/h5,7-10H,4,6H2,1-3H3,(H,16,17)(H,18,19)