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

Systemtic Name: diethyl 2-ethyl-2-(2-oxidanylidene-2-phenylsulfanyl-ethyl)propanedioate Openeye Name: diethyl 2-ethyl-2-(2-oxo-2-phenylsulfanyl-ethyl)propanedioate CAS Name: 2-ethyl-2-[2-oxo-2-(phenylthio)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-ethyl-2-(2-oxo-2-phenylsulfanylethyl)propanedioate Traditional Name: 2-ethyl-2-[2-keto-2-(phenylthio)ethyl]malonic acid diethyl ester Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)SC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC(CC(=O)SC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C17H22O5S/c1-4-17(15(19)21-5-2,16(20)22-6-3)12-14(18)23-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3