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

Systemtic Name: ethyl (3E,5Z)-6-(4-bromophenyl)-5-methylsulfanyl-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-6-(4-bromophenyl)-6-hydroxy-5-methylsulfanyl-2-oxo-hexa-3,5-dienoate CAS Name: (3E,5Z)-6-(4-bromophenyl)-6-hydroxy-5-(methylthio)-2-oxohexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-6-(4-bromophenyl)-6-hydroxy-5-methylsulfanyl-2-oxohexa-3,5-dienoate Traditional Name: (3E,5Z)-6-(4-bromophenyl)-6-hydroxy-2-keto-5-(methylthio)hexa-3,5-dienoic acid ethyl ester Formula: C15H15BrO4S MolecularWeight: 371.2462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrO4S/c1-3-20-15(19)12(17)8-9-13(21-2)14(18)10-4-6-11(16)7-5-10/h4-9,18H,3H2,1-2H3/b9-8+,14-13-