[(Z)-4-(2,2-dimethylpropanoyloxy)-2-oxidanylidene-3-phenylsulfanyl-but-3-enyl] 2,2-dimethylpropanoate

Systemtic Name: [(Z)-4-(2,2-dimethylpropanoyloxy)-2-oxidanylidene-3-phenylsulfanyl-but-3-enyl] 2,2-dimethylpropanoate Openeye Name: [(Z)-4-(2,2-dimethylpropanoyloxy)-2-oxo-3-phenylsulfanyl-but-3-enyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(Z)-4-(2,2-dimethyl-1-oxopropoxy)-2-oxo-3-(phenylthio)but-3-enyl] ester IUPAC Name: [(Z)-4-(2,2-dimethylpropanoyloxy)-2-oxo-3-phenylsulfanylbut-3-enyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(Z)-2-keto-3-(phenylthio)-4-pivaloyloxy-but-3-enyl] ester Formula: C20H26O5S MolecularWeight: 378.48244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=O)OCC(=O)/C(=C/OC(=O)C(C)(C)C)/SC1=CC=CC=C1

InChI

InChI=1S/C20H26O5S/c1-19(2,3)17(22)24-12-15(21)16(13-25-18(23)20(4,5)6)26-14-10-8-7-9-11-14/h7-11,13H,12H2,1-6H3/b16-13-