diethyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]propanedioate

Systemtic Name: diethyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]propanedioate CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]propanedioate Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]malonic acid diethyl ester Formula: C15H18BrNO5S MolecularWeight: 404.27612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrNO5S/c1-3-21-14(19)13(15(20)22-4-2)17-12(18)9-23-11-7-5-10(16)6-8-11/h5-8,13H,3-4,9H2,1-2H3,(H,17,18)