diethyl 2-[(Z)-2-iodanylpent-2-enyl]-2-(2-oxidanylidene-2-phenylsulfanyl-ethyl)propanedioate

Systemtic Name: diethyl 2-[(Z)-2-iodanylpent-2-enyl]-2-(2-oxidanylidene-2-phenylsulfanyl-ethyl)propanedioate Openeye Name: diethyl 2-[(Z)-2-iodopent-2-enyl]-2-(2-oxo-2-phenylsulfanyl-ethyl)propanedioate CAS Name: 2-[(Z)-2-iodopent-2-enyl]-2-[2-oxo-2-(phenylthio)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(Z)-2-iodopent-2-enyl]-2-(2-oxo-2-phenylsulfanylethyl)propanedioate Traditional Name: 2-[(Z)-2-iodopent-2-enyl]-2-[2-keto-2-(phenylthio)ethyl]malonic acid diethyl ester Formula: C20H25IO5S MolecularWeight: 504.37897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C=C(/CC(CC(=O)SC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC)\I

InChI

InChI=1S/C20H25IO5S/c1-4-10-15(21)13-20(18(23)25-5-2,19(24)26-6-3)14-17(22)27-16-11-8-7-9-12-16/h7-12H,4-6,13-14H2,1-3H3/b15-10-