6-[(2-methylsulfanylphenyl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(2-methylsulfanylphenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(2-methylsulfanylbenzoyl)amino]hexanoic acid CAS Name: 6-[[[2-(methylthio)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(2-methylsulfanylbenzoyl)amino]hexanoic acid Traditional Name: 6-[[2-(methylthio)benzoyl]amino]hexanoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-19-12-8-5-4-7-11(12)14(18)15-10-6-2-3-9-13(16)17/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,18)(H,16,17)