ethyl (3E,5Z)-6-ethoxy-6-oxidanyl-2-oxidanylidene-5-phenethylsulfanyl-hexa-3,5-dienoate

Systemtic Name: ethyl (3E,5Z)-6-ethoxy-6-oxidanyl-2-oxidanylidene-5-phenethylsulfanyl-hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-phenethylsulfanyl-hexa-3,5-dienoate CAS Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-(phenethylthio)hexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-phenethylsulfanylhexa-3,5-dienoate Traditional Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-keto-5-(phenethylthio)hexa-3,5-dienoic acid ethyl ester Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C=CC(=O)C(=O)OCC)SCCC1=CC=CC=C1)O

Isomeric SMILES

CCO/C(=C(/C=C/C(=O)C(=O)OCC)\SCCC1=CC=CC=C1)/O

InChI

InChI=1S/C18H22O5S/c1-3-22-17(20)15(19)10-11-16(18(21)23-4-2)24-13-12-14-8-6-5-7-9-14/h5-11,21H,3-4,12-13H2,1-2H3/b11-10+,18-16-