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

Systemtic Name: methyl 2-[2-hexanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-(2-hexanoylsulfanylacetyl)-2,3,6-trimethyl-anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxohexylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(2-hexanoylsulfanylacetyl)-2,3,6-trimethylanilino)propanoate Traditional Name: 2-(N-[2-(caproylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4S/c1-7-8-9-10-19(24)27-13-18(23)22(17(5)21(25)26-6)20-15(3)12-11-14(2)16(20)4/h11-12,17H,7-10,13H2,1-6H3