diethyl 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]propanedioate

Systemtic Name: diethyl 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]propanedioate CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]propanedioate Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]malonic acid diethyl ester Formula: C17H22BrNO5S MolecularWeight: 432.32928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CSC1=C(C=C(C(=C1)C)Br)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CSC1=C(C=C(C(=C1)C)Br)C

InChI

InChI=1S/C17H22BrNO5S/c1-5-23-16(21)15(17(22)24-6-2)19-14(20)9-25-13-8-10(3)12(18)7-11(13)4/h7-8,15H,5-6,9H2,1-4H3,(H,19,20)