2-[4-ethyl-2-oxidanyl-6-oxidanylidene-5-(phenylsulfonyl)-1H-pyridin-3-yl]propanoic acid

Systemtic Name: 2-[4-ethyl-2-oxidanyl-6-oxidanylidene-5-(phenylsulfonyl)-1H-pyridin-3-yl]propanoic acid Openeye Name: 2-[5-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1H-pyridin-3-yl]propanoic acid CAS Name: 2-[5-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1H-pyridin-3-yl]propanoic acid IUPAC Name: 2-[5-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1H-pyridin-3-yl]propanoic acid Traditional Name: 2-(5-besyl-4-ethyl-2-hydroxy-6-keto-1H-pyridin-3-yl)propionic acid Formula: C16H17NO6S MolecularWeight: 351.37428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NC(=C1C(C)C(=O)O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=O)NC(=C1C(C)C(=O)O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO6S/c1-3-11-12(9(2)16(20)21)14(18)17-15(19)13(11)24(22,23)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,20,21)(H2,17,18,19)