2-[(2-methylsulfanylphenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(2-methylsulfanylphenyl)carbonylamino]hexanoic acid Openeye Name: 2-[(2-methylsulfanylbenzoyl)amino]hexanoic acid CAS Name: 2-[[[2-(methylthio)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(2-methylsulfanylbenzoyl)amino]hexanoic acid Traditional Name: 2-[[2-(methylthio)benzoyl]amino]hexanoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=CC=CC=C1SC

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C14H19NO3S/c1-3-4-8-11(14(17)18)15-13(16)10-7-5-6-9-12(10)19-2/h5-7,9,11H,3-4,8H2,1-2H3,(H,15,16)(H,17,18)