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

Systemtic Name: methyl 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl-methyl-amino]ethanoate Openeye Name: methyl 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-methyl-amino]acetate CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-methylamino]acetate Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-methyl-amino]acetic acid methyl ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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