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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-9(2)6-8-15-12(17)10(3)20-13-11(14(18)19)5-4-7-16-13/h4-5,7,9-10H,6,8H2,1-3H3,(H,15,17)(H,18,19)