4-ethoxy-3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-ethoxy-3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-ethoxy-4-oxo-3-(p-tolylsulfonylamino)butanoic acid CAS Name: 4-ethoxy-3-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-ethoxy-3-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-ethoxy-4-keto-3-(tosylamino)butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(CC(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H17NO6S/c1-3-20-13(17)11(8-12(15)16)14-21(18,19)10-6-4-9(2)5-7-10/h4-7,11,14H,3,8H2,1-2H3,(H,15,16)