methyl 2-[(2,6-dimethylphenyl)-(2-dodecanoylsulfanylethanoyl)amino]ethanoate

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(2-dodecanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-dodecanoylsulfanylacetyl)-2,6-dimethyl-anilino)acetate CAS Name: 2-(2,6-dimethyl-N-[1-oxo-2-(1-oxododecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-dodecanoylsulfanylacetyl)-2,6-dimethylanilino)acetate Traditional Name: 2-(N-[2-(lauroylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C25H39NO4S MolecularWeight: 449.64646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)SCC(=O)N(CC(=O)OC)C1=C(C=CC=C1C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)SCC(=O)N(CC(=O)OC)C1=C(C=CC=C1C)C

InChI

InChI=1S/C25H39NO4S/c1-5-6-7-8-9-10-11-12-13-17-24(29)31-19-22(27)26(18-23(28)30-4)25-20(2)15-14-16-21(25)3/h14-16H,5-13,17-19H2,1-4H3