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

Systemtic Name: methyl 2-[2-sulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-sulfanylacetyl)anilino)propanoate CAS Name: 2-(N-(2-mercapto-1-oxoethyl)-2,3,6-trimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-sulfanylacetyl)anilino)propanoate Traditional Name: 2-(N-(2-mercaptoacetyl)-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-9-6-7-10(2)14(11(9)3)16(13(17)8-20)12(4)15(18)19-5/h6-7,12,20H,8H2,1-5H3