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

Systemtic Name: ethyl (3E,5Z)-6-ethoxy-5-(naphthalen-2-ylmethylsulfanyl)-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-5-(2-naphthylmethylsulfanyl)-2-oxo-hexa-3,5-dienoate CAS Name: (3E,5Z)-6-ethoxy-6-hydroxy-5-(2-naphthalenylmethylthio)-2-oxohexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-5-(naphthalen-2-ylmethylsulfanyl)-2-oxohexa-3,5-dienoate Traditional Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-keto-5-(2-naphthylmethylthio)hexa-3,5-dienoic acid ethyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C=CC(=O)C(=O)OCC)SCC1=CC2=CC=CC=C2C=C1)O

Isomeric SMILES

CCO/C(=C(/C=C/C(=O)C(=O)OCC)\SCC1=CC2=CC=CC=C2C=C1)/O

InChI

InChI=1S/C21H22O5S/c1-3-25-20(23)18(22)11-12-19(21(24)26-4-2)27-14-15-9-10-16-7-5-6-8-17(16)13-15/h5-13,24H,3-4,14H2,1-2H3/b12-11+,21-19-