methyl 6-(2-propan-2-ylsulfanylethanoylamino)hexanoate

Systemtic Name: methyl 6-(2-propan-2-ylsulfanylethanoylamino)hexanoate Openeye Name: methyl 6-[(2-isopropylsulfanylacetyl)amino]hexanoate CAS Name: 6-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-propan-2-ylsulfanylacetyl)amino]hexanoate Traditional Name: 6-[[2-(isopropylthio)acetyl]amino]hexanoic acid methyl ester Formula: C12H23NO3S MolecularWeight: 261.38092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NCCCCCC(=O)OC

Isomeric SMILES

CC(C)SCC(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C12H23NO3S/c1-10(2)17-9-11(14)13-8-6-4-5-7-12(15)16-3/h10H,4-9H2,1-3H3,(H,13,14)