ethyl (3E,5Z)-6-(4-methoxyphenyl)-5-methylsulfanyl-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoate

Systemtic Name: ethyl (3E,5Z)-6-(4-methoxyphenyl)-5-methylsulfanyl-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-6-hydroxy-6-(4-methoxyphenyl)-5-methylsulfanyl-2-oxo-hexa-3,5-dienoate CAS Name: (3E,5Z)-6-hydroxy-6-(4-methoxyphenyl)-5-(methylthio)-2-oxohexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-6-hydroxy-6-(4-methoxyphenyl)-5-methylsulfanyl-2-oxohexa-3,5-dienoate Traditional Name: (3E,5Z)-6-hydroxy-2-keto-6-(4-methoxyphenyl)-5-(methylthio)hexa-3,5-dienoic acid ethyl ester Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C=CC(=C(C1=CC=C(C=C1)OC)O)SC

Isomeric SMILES

CCOC(=O)C(=O)/C=C/C(=C(\C1=CC=C(C=C1)OC)/O)/SC

InChI

InChI=1S/C16H18O5S/c1-4-21-16(19)13(17)9-10-14(22-3)15(18)11-5-7-12(20-2)8-6-11/h5-10,18H,4H2,1-3H3/b10-9+,15-14-