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

Systemtic Name: methyl 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]acetic acid methyl ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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