2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]hexanoic acid Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]hexanoic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CSC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C16H23NO3S/c1-4-5-6-13(16(19)20)17-15(18)10-21-14-9-11(2)7-8-12(14)3/h7-9,13H,4-6,10H2,1-3H3,(H,17,18)(H,19,20)