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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CSC1=CC=CC=C1C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSC1=CC=CC=C1C

InChI

InChI=1S/C15H21NO3S/c1-3-4-8-12(15(18)19)16-14(17)10-20-13-9-6-5-7-11(13)2/h5-7,9,12H,3-4,8,10H2,1-2H3,(H,16,17)(H,18,19)