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

Systemtic Name: methyl 2-[(2,3,6-trimethylphenyl)-(2-undecanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-undecanoylsulfanylacetyl)anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxoundecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-undecanoylsulfanylacetyl)anilino)propanoate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(undecanoylthio)acetyl]anilino)propionic acid methyl ester Formula: C26H41NO4S MolecularWeight: 463.67304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41NO4S/c1-7-8-9-10-11-12-13-14-15-24(29)32-18-23(28)27(22(5)26(30)31-6)25-20(3)17-16-19(2)21(25)4/h16-17,22H,7-15,18H2,1-6H3