2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]hexanoic acid Openeye Name: 2-[[4-(methylsulfanylmethyl)benzoyl]amino]hexanoic acid CAS Name: 2-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[[4-(methylsulfanylmethyl)benzoyl]amino]hexanoic acid Traditional Name: 2-[[4-[(methylthio)methyl]benzoyl]amino]hexanoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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