methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-ethanoylsulfanylethanoyl)amino]ethanoate

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-ethanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-acetylsulfanylacetyl)-3-bromo-2,6-dimethyl-anilino)acetate CAS Name: 2-(N-[2-(acetylthio)-1-oxoethyl]-3-bromo-2,6-dimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-acetylsulfanylacetyl)-3-bromo-2,6-dimethylanilino)acetate Traditional Name: 2-(N-[2-(acetylthio)acetyl]-3-bromo-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C15H18BrNO4S MolecularWeight: 388.27672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrNO4S/c1-9-5-6-12(16)10(2)15(9)17(7-14(20)21-4)13(19)8-22-11(3)18/h5-6H,7-8H2,1-4H3