6-[(3,5-dimethyl-4-methylsulfanyl-phenoxy)carbonylamino]hexanoic acid

Systemtic Name: 6-[(3,5-dimethyl-4-methylsulfanyl-phenoxy)carbonylamino]hexanoic acid Openeye Name: 6-[(3,5-dimethyl-4-methylsulfanyl-phenoxy)carbonylamino]hexanoic acid CAS Name: 6-[[[3,5-dimethyl-4-(methylthio)phenoxy]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(3,5-dimethyl-4-methylsulfanylphenoxy)carbonylamino]hexanoic acid Traditional Name: 6-[[3,5-dimethyl-4-(methylthio)phenoxy]carbonylamino]hexanoic acid Formula: C16H23NO4S MolecularWeight: 325.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC)C)OC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1SC)C)OC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C16H23NO4S/c1-11-9-13(10-12(2)15(11)22-3)21-16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)