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

Systemtic Name: methyl 2-[2-tetradecanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-tetradecanoylsulfanylacetyl)anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxotetradecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-tetradecanoylsulfanylacetyl)anilino)propanoate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(tetradecanoylthio)acetyl]anilino)propionic acid methyl ester Formula: C29H47NO4S MolecularWeight: 505.75278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H47NO4S/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(32)35-21-26(31)30(25(5)29(33)34-6)28-23(3)20-19-22(2)24(28)4/h19-20,25H,7-18,21H2,1-6H3