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

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(2-tetradecanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(2,6-dimethyl-N-(2-tetradecanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(2,6-dimethyl-N-[1-oxo-2-(1-oxotetradecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-N-(2-tetradecanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(2,6-dimethyl-N-[2-(tetradecanoylthio)acetyl]anilino)acetic acid methyl ester Formula: C27H43NO4S MolecularWeight: 477.69962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO4S/c1-5-6-7-8-9-10-11-12-13-14-15-19-26(31)33-21-24(29)28(20-25(30)32-4)27-22(2)17-16-18-23(27)3/h16-18H,5-15,19-21H2,1-4H3