diethyl 2-[1-(4-bromophenyl)-2-methylsulfanyl-ethyl]propanedioate

Systemtic Name: diethyl 2-[1-(4-bromophenyl)-2-methylsulfanyl-ethyl]propanedioate Openeye Name: diethyl 2-[1-(4-bromophenyl)-2-methylsulfanyl-ethyl]propanedioate CAS Name: 2-[1-(4-bromophenyl)-2-(methylthio)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(4-bromophenyl)-2-methylsulfanylethyl]propanedioate Traditional Name: 2-[1-(4-bromophenyl)-2-(methylthio)ethyl]malonic acid diethyl ester Formula: C16H21BrO4S MolecularWeight: 389.30454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CSC)C1=CC=C(C=C1)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CSC)C1=CC=C(C=C1)Br)C(=O)OCC

InChI

InChI=1S/C16H21BrO4S/c1-4-20-15(18)14(16(19)21-5-2)13(10-22-3)11-6-8-12(17)9-7-11/h6-9,13-14H,4-5,10H2,1-3H3