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

Systemtic Name: ethyl (3E,5Z)-6-ethoxy-5-[(2-methylphenyl)methylsulfanyl]-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-5-(o-tolylmethylsulfanyl)-2-oxo-hexa-3,5-dienoate CAS Name: (3E,5Z)-6-ethoxy-6-hydroxy-5-[(2-methylphenyl)methylthio]-2-oxohexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-5-[(2-methylphenyl)methylsulfanyl]-2-oxohexa-3,5-dienoate Traditional Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-keto-5-[(2-methylbenzyl)thio]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)SCC1=CC=CC=C1C)O

Isomeric SMILES

CCO/C(=C(/C=C/C(=O)C(=O)OCC)\SCC1=CC=CC=C1C)/O

InChI

InChI=1S/C18H22O5S/c1-4-22-17(20)15(19)10-11-16(18(21)23-5-2)24-12-14-9-7-6-8-13(14)3/h6-11,21H,4-5,12H2,1-3H3/b11-10+,18-16-