methyl 2-[(3-ethanethioyl-2,6-dimethyl-phenyl)-(phenylmethyl)amino]propanoate

Systemtic Name: methyl 2-[(3-ethanethioyl-2,6-dimethyl-phenyl)-(phenylmethyl)amino]propanoate Openeye Name: methyl 2-(N-benzyl-3-ethanethioyl-2,6-dimethyl-anilino)propanoate CAS Name: 2-[2,6-dimethyl-N-(phenylmethyl)-3-(1-sulfanylideneethyl)anilino]propanoic acid methyl ester IUPAC Name: methyl 2-(N-benzyl-3-ethanethioyl-2,6-dimethylanilino)propanoate Traditional Name: 2-(N-benzyl-2,6-dimethyl-3-thioacetyl-anilino)propionic acid methyl ester Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=S)C)C)N(CC2=CC=CC=C2)C(C)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=S)C)C)N(CC2=CC=CC=C2)C(C)C(=O)OC

InChI

InChI=1S/C21H25NO2S/c1-14-11-12-19(17(4)25)15(2)20(14)22(16(3)21(23)24-5)13-18-9-7-6-8-10-18/h6-12,16H,13H2,1-5H3