methyl 6-[2-(phenylmethylsulfanyl)ethanoylamino]hexanoate

Systemtic Name: methyl 6-[2-(phenylmethylsulfanyl)ethanoylamino]hexanoate Openeye Name: methyl 6-[(2-benzylsulfanylacetyl)amino]hexanoate CAS Name: 6-[[1-oxo-2-(phenylmethylthio)ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-benzylsulfanylacetyl)amino]hexanoate Traditional Name: 6-[[2-(benzylthio)acetyl]amino]hexanoic acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CSCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCCNC(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C16H23NO3S/c1-20-16(19)10-6-3-7-11-17-15(18)13-21-12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,17,18)