methyl 2-[(2,6-dimethylphenyl)-(2-ethanoylsulfanylethanoyl)amino]propanoate

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(2-ethanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(N-(2-acetylsulfanylacetyl)-2,6-dimethyl-anilino)propanoate CAS Name: 2-(N-[2-(acetylthio)-1-oxoethyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(2-acetylsulfanylacetyl)-2,6-dimethylanilino)propanoate Traditional Name: 2-(N-[2-(acetylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C

InChI

InChI=1S/C16H21NO4S/c1-10-7-6-8-11(2)15(10)17(12(3)16(20)21-5)14(19)9-22-13(4)18/h6-8,12H,9H2,1-5H3