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

Systemtic Name: methyl 2-[2-(2-cyanoethanoylsulfanyl)ethanoyl-(2,6-dimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-[2-(2-cyanoacetyl)sulfanylacetyl]-2,6-dimethyl-anilino)propanoate CAS Name: 2-(N-[2-[(2-cyano-1-oxoethyl)thio]-1-oxoethyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-[2-(2-cyanoacetyl)sulfanylacetyl]-2,6-dimethylanilino)propanoate Traditional Name: 2-(N-[2-[(2-cyanoacetyl)thio]acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-11-6-5-7-12(2)16(11)19(13(3)17(22)23-4)14(20)10-24-15(21)8-9-18/h5-7,13H,8,10H2,1-4H3