ethyl 4-[2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyloxy]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyloxy]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]oxyacetyl]amino]butanoate CAS Name: 4-[[2-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]butanoate Traditional Name: 4-[[2-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]oxyacetyl]amino]butyric acid ethyl ester Formula: C18H24BrNO5S MolecularWeight: 446.35586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)COC(=O)CSC1=C(C=C(C(=C1)C)Br)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)COC(=O)CSC1=C(C=C(C(=C1)C)Br)C

InChI

InChI=1S/C18H24BrNO5S/c1-4-24-17(22)6-5-7-20-16(21)10-25-18(23)11-26-15-9-12(2)14(19)8-13(15)3/h8-9H,4-7,10-11H2,1-3H3,(H,20,21)