methyl 2-(2-phenylsulfanylethanoylamino)hexanoate

Systemtic Name: methyl 2-(2-phenylsulfanylethanoylamino)hexanoate Openeye Name: methyl 2-[(2-phenylsulfanylacetyl)amino]hexanoate CAS Name: 2-[[1-oxo-2-(phenylthio)ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[(2-phenylsulfanylacetyl)amino]hexanoate Traditional Name: 2-[[2-(phenylthio)acetyl]amino]hexanoic acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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