6-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]hexanoic acid Openeye Name: 6-[[4-(methylsulfanylmethyl)benzoyl]amino]hexanoic acid CAS Name: 6-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[4-(methylsulfanylmethyl)benzoyl]amino]hexanoic acid Traditional Name: 6-[[4-[(methylthio)methyl]benzoyl]amino]hexanoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NCCCCCC(=O)O

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-20-11-12-6-8-13(9-7-12)15(19)16-10-4-2-3-5-14(17)18/h6-9H,2-5,10-11H2,1H3,(H,16,19)(H,17,18)