2-(2-phenylsulfanylethanoylamino)hexanoic acid

Systemtic Name: 2-(2-phenylsulfanylethanoylamino)hexanoic acid Openeye Name: 2-[(2-phenylsulfanylacetyl)amino]hexanoic acid CAS Name: 2-[[1-oxo-2-(phenylthio)ethyl]amino]hexanoic acid IUPAC Name: 2-[(2-phenylsulfanylacetyl)amino]hexanoic acid Traditional Name: 2-[[2-(phenylthio)acetyl]amino]hexanoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C14H19NO3S/c1-2-3-9-12(14(17)18)15-13(16)10-19-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,15,16)(H,17,18)