methyl 6-(2-butylsulfanylethanoylamino)hexanoate

Systemtic Name: methyl 6-(2-butylsulfanylethanoylamino)hexanoate Openeye Name: methyl 6-[(2-butylsulfanylacetyl)amino]hexanoate CAS Name: 6-[[2-(butylthio)-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-butylsulfanylacetyl)amino]hexanoate Traditional Name: 6-[[2-(butylthio)acetyl]amino]hexanoic acid methyl ester Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NCCCCCC(=O)OC

Isomeric SMILES

CCCCSCC(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C13H25NO3S/c1-3-4-10-18-11-12(15)14-9-7-5-6-8-13(16)17-2/h3-11H2,1-2H3,(H,14,15)