ethyl (3E,5Z)-5-methylsulfanyl-6-oxidanyl-2-oxidanylidene-6-(4-piperidin-1-ylphenyl)hexa-3,5-dienoate

Systemtic Name: ethyl (3E,5Z)-5-methylsulfanyl-6-oxidanyl-2-oxidanylidene-6-(4-piperidin-1-ylphenyl)hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-6-hydroxy-5-methylsulfanyl-2-oxo-6-[4-(1-piperidyl)phenyl]hexa-3,5-dienoate CAS Name: (3E,5Z)-6-hydroxy-5-(methylthio)-2-oxo-6-[4-(1-piperidinyl)phenyl]hexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-6-hydroxy-5-methylsulfanyl-2-oxo-6-(4-piperidin-1-ylphenyl)hexa-3,5-dienoate Traditional Name: (3E,5Z)-6-hydroxy-2-keto-5-(methylthio)-6-(4-piperidinophenyl)hexa-3,5-dienoic acid ethyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C=CC(=C(C1=CC=C(C=C1)N2CCCCC2)O)SC

Isomeric SMILES

CCOC(=O)C(=O)/C=C/C(=C(\C1=CC=C(C=C1)N2CCCCC2)/O)/SC

InChI

InChI=1S/C20H25NO4S/c1-3-25-20(24)17(22)11-12-18(26-2)19(23)15-7-9-16(10-8-15)21-13-5-4-6-14-21/h7-12,23H,3-6,13-14H2,1-2H3/b12-11+,19-18-