diethyl 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]propanedioate

Systemtic Name: diethyl 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]propanedioate CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]propanedioate Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]malonic acid diethyl ester Formula: C16H20BrNO5S MolecularWeight: 418.3027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO5S/c1-4-22-15(20)14(16(21)23-5-2)18-13(19)9-24-12-7-6-11(17)8-10(12)3/h6-8,14H,4-5,9H2,1-3H3,(H,18,19)