2-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxidanylidene-propyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxidanylidene-propyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[3-[(5-methylisoxazol-3-yl)amino]-3-oxo-propyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[3-[(5-methyl-3-isoxazolyl)amino]-3-oxopropyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[3-keto-3-[(5-methylisoxazol-3-yl)amino]propyl]thio]nicotinic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H13N3O4S/c1-8-7-10(16-20-8)15-11(17)4-6-21-12-9(13(18)19)3-2-5-14-12/h2-3,5,7H,4,6H2,1H3,(H,18,19)(H,15,16,17)