2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]hexanoic acid Openeye Name: 2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]hexanoic acid CAS Name: 2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]hexanoic acid Traditional Name: 2-[[2-methyl-5-(methylthio)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=C(C=CC(=C1)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-4-5-6-13(15(18)19)16-14(17)12-9-11(20-3)8-7-10(12)2/h7-9,13H,4-6H2,1-3H3,(H,16,17)(H,18,19)