potassium 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanylethanoate

Systemtic Name: potassium 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanylethanoate Openeye Name: potassium 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanylacetate CAS Name: potassium 2-[[4-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]thio]acetate IUPAC Name: potassium 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanylacetate Traditional Name: potassium 2-[[4-(2,2-dimethylbutanoylamino)phenyl]thio]acetate Formula: C14H18KNO3S MolecularWeight: 319.46092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=CC=C(C=C1)SCC(=O)[O-].[K+]

Isomeric SMILES

CCC(C)(C)C(=O)NC1=CC=C(C=C1)SCC(=O)[O-].[K+]

InChI

InChI=1S/C14H19NO3S.K/c1-4-14(2,3)13(18)15-10-5-7-11(8-6-10)19-9-12(16)17;/h5-8H,4,9H2,1-3H3,(H,15,18)(H,16,17);/q;+1/p-1