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

Systemtic Name: methyl 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]acetic acid methyl ester Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3S/c1-8-5-9(13)3-4-10(8)18-7-11(15)14-6-12(16)17-2/h3-5H,6-7H2,1-2H3,(H,14,15)