(2E,4E)-5-(4-butylsulfanylphenyl)-2-cyano-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-(4-butylsulfanylphenyl)-2-cyano-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-(4-butylsulfanylphenyl)-2-cyano-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-[4-(butylthio)phenyl]-2-cyanopenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-(4-butylsulfanylphenyl)-2-cyanopenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-[4-(butylthio)phenyl]-2-cyano-penta-2,4-dienoic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C=CC=C(C#N)C(=O)O

Isomeric SMILES

CCCCSC1=CC=C(C=C1)/C=C/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C16H17NO2S/c1-2-3-11-20-15-9-7-13(8-10-15)5-4-6-14(12-17)16(18)19/h4-10H,2-3,11H2,1H3,(H,18,19)/b5-4+,14-6+