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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-sulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-sulfanylacetyl)anilino)propanoate CAS Name: 2-(3-bromo-N-(2-mercapto-1-oxoethyl)-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-sulfanylacetyl)anilino)propanoate Traditional Name: 2-(3-bromo-N-(2-mercaptoacetyl)-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C14H18BrNO3S MolecularWeight: 360.26662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3S/c1-8-5-6-11(15)9(2)13(8)16(12(17)7-20)10(3)14(18)19-4/h5-6,10,20H,7H2,1-4H3