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

Systemtic Name: ethyl (3E,5Z)-6-ethoxy-6-oxidanyl-2-oxidanylidene-5-[(3-phenoxyphenyl)methylsulfanyl]hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-[(3-phenoxyphenyl)methylsulfanyl]hexa-3,5-dienoate CAS Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-[(3-phenoxyphenyl)methylthio]hexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-[(3-phenoxyphenyl)methylsulfanyl]hexa-3,5-dienoate Traditional Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-keto-5-[(3-phenoxybenzyl)thio]hexa-3,5-dienoic acid ethyl ester Formula: C23H24O6S MolecularWeight: 428.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C=CC(=O)C(=O)OCC)SCC1=CC(=CC=C1)OC2=CC=CC=C2)O

Isomeric SMILES

CCO/C(=C(/C=C/C(=O)C(=O)OCC)\SCC1=CC(=CC=C1)OC2=CC=CC=C2)/O

InChI

InChI=1S/C23H24O6S/c1-3-27-22(25)20(24)13-14-21(23(26)28-4-2)30-16-17-9-8-12-19(15-17)29-18-10-6-5-7-11-18/h5-15,26H,3-4,16H2,1-2H3/b14-13+,23-21-