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

Systemtic Name: methyl 4-[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxyacetyl]amino]butanoate CAS Name: 4-[[2-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxyacetyl]amino]butanoate Traditional Name: 4-[[2-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxyacetyl]amino]butyric acid methyl ester Formula: C16H20BrNO5S MolecularWeight: 418.3027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO5S/c1-11-8-12(17)5-6-13(11)24-10-16(21)23-9-14(19)18-7-3-4-15(20)22-2/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,19)