diethyl 2-(2-bromoethyl)-2-(2-oxidanylidene-2-phenylsulfanyl-ethyl)propanedioate

Systemtic Name: diethyl 2-(2-bromoethyl)-2-(2-oxidanylidene-2-phenylsulfanyl-ethyl)propanedioate Openeye Name: diethyl 2-(2-bromoethyl)-2-(2-oxo-2-phenylsulfanyl-ethyl)propanedioate CAS Name: 2-(2-bromoethyl)-2-[2-oxo-2-(phenylthio)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-bromoethyl)-2-(2-oxo-2-phenylsulfanylethyl)propanedioate Traditional Name: 2-(2-bromoethyl)-2-[2-keto-2-(phenylthio)ethyl]malonic acid diethyl ester Formula: C17H21BrO5S MolecularWeight: 417.31464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCBr)(CC(=O)SC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCBr)(CC(=O)SC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C17H21BrO5S/c1-3-22-15(20)17(10-11-18,16(21)23-4-2)12-14(19)24-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3