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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S/c1-3-12-9(14)7(2)17-10-8(11(15)16)5-4-6-13-10/h4-7H,3H2,1-2H3,(H,12,14)(H,15,16)