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

Systemtic Name: 2-[1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl]thio]nicotinic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S/c1-8(10(15)13-6-7-18-2)19-11-9(12(16)17)4-3-5-14-11/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,16,17)