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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-sulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-sulfanylacetyl)anilino)acetate CAS Name: 2-(3-bromo-N-(2-mercapto-1-oxoethyl)-2,6-dimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-sulfanylacetyl)anilino)acetate Traditional Name: 2-(3-bromo-N-(2-mercaptoacetyl)-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3S/c1-8-4-5-10(14)9(2)13(8)15(11(16)7-19)6-12(17)18-3/h4-5,19H,6-7H2,1-3H3