2-[(4-methylsulfanylphenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(4-methylsulfanylphenyl)carbonylamino]hexanoic acid Openeye Name: 2-[(4-methylsulfanylbenzoyl)amino]hexanoic acid CAS Name: 2-[[[4-(methylthio)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(4-methylsulfanylbenzoyl)amino]hexanoic acid Traditional Name: 2-[[4-(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=C(C=C1)SC

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-3-4-5-12(14(17)18)15-13(16)10-6-8-11(19-2)9-7-10/h6-9,12H,3-5H2,1-2H3,(H,15,16)(H,17,18)