methyl 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl-methyl-amino]ethanoate Openeye Name: methyl 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-methyl-amino]acetate CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetate Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-methyl-amino]acetic acid methyl ester Formula: C14H18BrNO3S MolecularWeight: 360.26662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N(C)CC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N(C)CC(=O)OC

InChI

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