2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]hexanoic acid Openeye Name: 2-[[3-(methylsulfanylmethyl)benzoyl]amino]hexanoic acid CAS Name: 2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[[3-(methylsulfanylmethyl)benzoyl]amino]hexanoic acid Traditional Name: 2-[[3-[(methylthio)methyl]benzoyl]amino]hexanoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-3-4-8-13(15(18)19)16-14(17)12-7-5-6-11(9-12)10-20-2/h5-7,9,13H,3-4,8,10H2,1-2H3,(H,16,17)(H,18,19)