6-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(2-methyl-5-methylsulfanyl-benzoyl)amino]hexanoic acid CAS Name: 6-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(2-methyl-5-methylsulfanylbenzoyl)amino]hexanoic acid Traditional Name: 6-[[2-methyl-5-(methylthio)benzoyl]amino]hexanoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NCCCCCC(=O)O

InChI

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