methyl 2-[(2,3,6-trimethylphenyl)-(2-undecanoylsulfanylethanoyl)amino]ethanoate

Systemtic Name: methyl 2-[(2,3,6-trimethylphenyl)-(2-undecanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-undecanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxoundecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-undecanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(undecanoylthio)acetyl]anilino)acetic acid methyl ester Formula: C25H39NO4S MolecularWeight: 449.64646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO4S/c1-6-7-8-9-10-11-12-13-14-24(29)31-18-22(27)26(17-23(28)30-5)25-20(3)16-15-19(2)21(25)4/h15-16H,6-14,17-18H2,1-5H3