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

Systemtic Name: methyl 2-[2-decanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-(2-decanoylsulfanylacetyl)-2,3,6-trimethyl-anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxodecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(2-decanoylsulfanylacetyl)-2,3,6-trimethylanilino)propanoate Traditional Name: 2-(N-[2-(caprylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C25H39NO4S MolecularWeight: 449.64646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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