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

Systemtic Name: methyl 2-[2-butanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-(2-butanoylsulfanylacetyl)-2,3,6-trimethyl-anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxobutylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(2-butanoylsulfanylacetyl)-2,3,6-trimethylanilino)propanoate Traditional Name: 2-(N-[2-(butyrylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S/c1-7-8-17(22)25-11-16(21)20(15(5)19(23)24-6)18-13(3)10-9-12(2)14(18)4/h9-10,15H,7-8,11H2,1-6H3