methyl 6-[2-(2-methylphenyl)sulfanylethanoylamino]hexanoate

Systemtic Name: methyl 6-[2-(2-methylphenyl)sulfanylethanoylamino]hexanoate Openeye Name: methyl 6-[[2-(o-tolylsulfanyl)acetyl]amino]hexanoate CAS Name: 6-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]hexanoate Traditional Name: 6-[[2-(o-tolylthio)acetyl]amino]hexanoic acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C16H23NO3S/c1-13-8-5-6-9-14(13)21-12-15(18)17-11-7-3-4-10-16(19)20-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,17,18)