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

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(2-sulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(2,6-dimethyl-N-(2-sulfanylacetyl)anilino)propanoate CAS Name: 2-(N-(2-mercapto-1-oxoethyl)-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-N-(2-sulfanylacetyl)anilino)propanoate Traditional Name: 2-(N-(2-mercaptoacetyl)-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-9-6-5-7-10(2)13(9)15(12(16)8-19)11(3)14(17)18-4/h5-7,11,19H,8H2,1-4H3