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

Systemtic Name: 2-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-1-methyl-2-(propargylamino)ethyl]thio]nicotinic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)SC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(C(=O)NCC#C)SC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-3-6-13-10(15)8(2)18-11-9(12(16)17)5-4-7-14-11/h1,4-5,7-8H,6H2,2H3,(H,13,15)(H,16,17)