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

Systemtic Name: ethyl (3E,5Z)-6-ethoxy-5-[(3-methylphenyl)methylsulfanyl]-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-5-(m-tolylmethylsulfanyl)-2-oxo-hexa-3,5-dienoate CAS Name: (3E,5Z)-6-ethoxy-6-hydroxy-5-[(3-methylphenyl)methylthio]-2-oxohexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-6-ethoxy-6-hydroxy-5-[(3-methylphenyl)methylsulfanyl]-2-oxohexa-3,5-dienoate Traditional Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-keto-5-[(3-methylbenzyl)thio]hexa-3,5-dienoic acid ethyl ester Formula: C18H22O5S MolecularWeight: 350.42928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O5S/c1-4-22-17(20)15(19)9-10-16(18(21)23-5-2)24-12-14-8-6-7-13(3)11-14/h6-11,21H,4-5,12H2,1-3H3/b10-9+,18-16-