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

Systemtic Name: methyl 2-[2-octanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-octanoylsulfanylacetyl)anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxooctylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-octanoylsulfanylacetyl)anilino)propanoate Traditional Name: 2-(N-[2-(caprylylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO4S/c1-7-8-9-10-11-12-21(26)29-15-20(25)24(19(5)23(27)28-6)22-17(3)14-13-16(2)18(22)4/h13-14,19H,7-12,15H2,1-6H3