6-[(3-methyl-4-methylsulfanyl-phenoxy)carbonylamino]hexanoic acid

Systemtic Name: 6-[(3-methyl-4-methylsulfanyl-phenoxy)carbonylamino]hexanoic acid Openeye Name: 6-[(3-methyl-4-methylsulfanyl-phenoxy)carbonylamino]hexanoic acid CAS Name: 6-[[[3-methyl-4-(methylthio)phenoxy]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(3-methyl-4-methylsulfanylphenoxy)carbonylamino]hexanoic acid Traditional Name: 6-[[3-methyl-4-(methylthio)phenoxy]carbonylamino]hexanoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-11-10-12(7-8-13(11)21-2)20-15(19)16-9-5-3-4-6-14(17)18/h7-8,10H,3-6,9H2,1-2H3,(H,16,19)(H,17,18)