ethyl (3E,5Z)-6-ethoxy-6-oxidanyl-2-oxidanylidene-5-[(4-propan-2-ylphenyl)methylsulfanyl]hexa-3,5-dienoate

Systemtic Name: ethyl (3E,5Z)-6-ethoxy-6-oxidanyl-2-oxidanylidene-5-[(4-propan-2-ylphenyl)methylsulfanyl]hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-5-[(4-isopropylphenyl)methylsulfanyl]-2-oxo-hexa-3,5-dienoate CAS Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-[(4-propan-2-ylphenyl)methylthio]hexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-[(4-propan-2-ylphenyl)methylsulfanyl]hexa-3,5-dienoate Traditional Name: (3E,5Z)-6-ethoxy-6-hydroxy-5-[(4-isopropylbenzyl)thio]-2-keto-hexa-3,5-dienoic acid ethyl ester Formula: C20H26O5S MolecularWeight: 378.48244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C=CC(=O)C(=O)OCC)SCC1=CC=C(C=C1)C(C)C)O

Isomeric SMILES

CCO/C(=C(/C=C/C(=O)C(=O)OCC)\SCC1=CC=C(C=C1)C(C)C)/O

InChI

InChI=1S/C20H26O5S/c1-5-24-19(22)17(21)11-12-18(20(23)25-6-2)26-13-15-7-9-16(10-8-15)14(3)4/h7-12,14,23H,5-6,13H2,1-4H3/b12-11+,20-18-