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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C)SC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CCCCCNC(=O)C(C)SC1=C(C=CC=N1)C(=O)O

InChI

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