methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(phenylcarbonylsulfanyl)ethanoyl]amino]propanoate

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(phenylcarbonylsulfanyl)ethanoyl]amino]propanoate Openeye Name: methyl 2-(N-(2-benzoylsulfanylacetyl)-3-bromo-2,6-dimethyl-anilino)propanoate CAS Name: 2-(N-[2-(benzoylthio)-1-oxoethyl]-3-bromo-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(2-benzoylsulfanylacetyl)-3-bromo-2,6-dimethylanilino)propanoate Traditional Name: 2-(N-[2-(benzoylthio)acetyl]-3-bromo-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C21H22BrNO4S MolecularWeight: 464.37268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO4S/c1-13-10-11-17(22)14(2)19(13)23(15(3)20(25)27-4)18(24)12-28-21(26)16-8-6-5-7-9-16/h5-11,15H,12H2,1-4H3