methyl 2-[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxyacetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxyacetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxyacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H22BrNO5S/c1-14-10-16(22)8-9-18(14)29-13-20(25)28-12-19(24)23-17(21(26)27-2)11-15-6-4-3-5-7-15/h3-10,17H,11-13H2,1-2H3,(H,23,24)