diethyl 2-(2-phenylsulfanylethyl)propanedioate

Systemtic Name: diethyl 2-(2-phenylsulfanylethyl)propanedioate Openeye Name: diethyl 2-(2-phenylsulfanylethyl)propanedioate CAS Name: 2-[2-(phenylthio)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-phenylsulfanylethyl)propanedioate Traditional Name: 2-[2-(phenylthio)ethyl]malonic acid diethyl ester Formula: C15H20O4S MolecularWeight: 296.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCSC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C15H20O4S/c1-3-18-14(16)13(15(17)19-4-2)10-11-20-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3