dimethyl 2-[(E)-5-oxidanylidene-5-propan-2-ylsulfanyl-pent-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-5-oxidanylidene-5-propan-2-ylsulfanyl-pent-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-5-isopropylsulfanyl-5-oxo-pent-2-enyl]propanedioate CAS Name: 2-[(E)-5-oxo-5-(propan-2-ylthio)pent-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-5-oxo-5-propan-2-ylsulfanylpent-2-enyl]propanedioate Traditional Name: 2-[(E)-5-(isopropylthio)-5-keto-pent-2-enyl]malonic acid dimethyl ester Formula: C13H20O5S MolecularWeight: 288.3599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(=O)CC=CCC(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)SC(=O)C/C=C/CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H20O5S/c1-9(2)19-11(14)8-6-5-7-10(12(15)17-3)13(16)18-4/h5-6,9-10H,7-8H2,1-4H3/b6-5+