ethyl (3E,5E)-6-ethoxy-6-oxidanyl-2-oxidanylidene-5-propan-2-ylsulfanyl-hexa-3,5-dienoate

Systemtic Name: ethyl (3E,5E)-6-ethoxy-6-oxidanyl-2-oxidanylidene-5-propan-2-ylsulfanyl-hexa-3,5-dienoate Openeye Name: ethyl (3E,5E)-6-ethoxy-6-hydroxy-5-isopropylsulfanyl-2-oxo-hexa-3,5-dienoate CAS Name: (3E,5E)-6-ethoxy-6-hydroxy-2-oxo-5-(propan-2-ylthio)hexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5E)-6-ethoxy-6-hydroxy-2-oxo-5-propan-2-ylsulfanylhexa-3,5-dienoate Traditional Name: (3E,5E)-6-ethoxy-6-hydroxy-5-(isopropylthio)-2-keto-hexa-3,5-dienoic acid ethyl ester Formula: C13H20O5S MolecularWeight: 288.3599

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C=CC(=O)C(=O)OCC)SC(C)C)O

Isomeric SMILES

CCO/C(=C(\C=C\C(=O)C(=O)OCC)/SC(C)C)/O

InChI

InChI=1S/C13H20O5S/c1-5-17-12(15)10(14)7-8-11(19-9(3)4)13(16)18-6-2/h7-9,16H,5-6H2,1-4H3/b8-7+,13-11+