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

Systemtic Name: 2-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]nicotinic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H14N2O3S/c1-7(10(15)14-8-4-5-8)18-11-9(12(16)17)3-2-6-13-11/h2-3,6-8H,4-5H2,1H3,(H,14,15)(H,16,17)