methyl 4-[[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H20BrNO5S/c1-13-9-16(21)7-8-17(13)28-12-19(24)27-11-18(23)22-10-14-3-5-15(6-4-14)20(25)26-2/h3-9H,10-12H2,1-2H3,(H,22,23)