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

Systemtic Name: methyl 2-[2-(phenylcarbonylsulfanyl)ethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-(2-benzoylsulfanylacetyl)-2,3,6-trimethyl-anilino)propanoate CAS Name: 2-(N-[2-(benzoylthio)-1-oxoethyl]-2,3,6-trimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(2-benzoylsulfanylacetyl)-2,3,6-trimethylanilino)propanoate Traditional Name: 2-(N-[2-(benzoylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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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)CSC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H25NO4S/c1-14-11-12-15(2)20(16(14)3)23(17(4)21(25)27-5)19(24)13-28-22(26)18-9-7-6-8-10-18/h6-12,17H,13H2,1-5H3