2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(isobutylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(isobutylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C12H16N2O3S/c1-8(2)6-14-10(15)7-18-11-9(12(16)17)4-3-5-13-11/h3-5,8H,6-7H2,1-2H3,(H,14,15)(H,16,17)