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

Systemtic Name: methyl 2-[2-tetradecanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-tetradecanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxotetradecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-tetradecanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(tetradecanoylthio)acetyl]anilino)acetic acid methyl ester Formula: C28H45NO4S MolecularWeight: 491.7262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(32)34-21-25(30)29(20-26(31)33-5)28-23(3)19-18-22(2)24(28)4/h18-19H,6-17,20-21H2,1-5H3