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

Systemtic Name: 2-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(dimethylamino)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(dimethylamino)-2-keto-1-methyl-ethyl]thio]nicotinic acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S/c1-7(10(14)13(2)3)17-9-8(11(15)16)5-4-6-12-9/h4-7H,1-3H3,(H,15,16)