6-[2-(2-methylphenyl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(2-methylphenyl)sulfanylethanoylamino]hexanoic acid Openeye Name: 6-[[2-(o-tolylsulfanyl)acetyl]amino]hexanoic acid CAS Name: 6-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 6-[[2-(o-tolylthio)acetyl]amino]hexanoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-12-7-4-5-8-13(12)20-11-14(17)16-10-6-2-3-9-15(18)19/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,16,17)(H,18,19)