methyl 6-[2-(4-methylphenyl)sulfanylethanoylamino]hexanoate

Systemtic Name: methyl 6-[2-(4-methylphenyl)sulfanylethanoylamino]hexanoate Openeye Name: methyl 6-[[2-(p-tolylsulfanyl)acetyl]amino]hexanoate CAS Name: 6-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(4-methylphenyl)sulfanylacetyl]amino]hexanoate Traditional Name: 6-[[2-(p-tolylthio)acetyl]amino]hexanoic acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C16H23NO3S/c1-13-7-9-14(10-8-13)21-12-15(18)17-11-5-3-4-6-16(19)20-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)