6-[2-(4-methylphenyl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(4-methylphenyl)sulfanylethanoylamino]hexanoic acid Openeye Name: 6-[[2-(p-tolylsulfanyl)acetyl]amino]hexanoic acid CAS Name: 6-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(4-methylphenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 6-[[2-(p-tolylthio)acetyl]amino]hexanoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-12-6-8-13(9-7-12)20-11-14(17)16-10-4-2-3-5-15(18)19/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)