(2E,4E,6E)-2-cyano-7-(4-methylsulfanylphenyl)hepta-2,4,6-trienoic acid

Systemtic Name: (2E,4E,6E)-2-cyano-7-(4-methylsulfanylphenyl)hepta-2,4,6-trienoic acid Openeye Name: (2E,4E,6E)-2-cyano-7-(4-methylsulfanylphenyl)hepta-2,4,6-trienoic acid CAS Name: (2E,4E,6E)-2-cyano-7-[4-(methylthio)phenyl]hepta-2,4,6-trienoic acid IUPAC Name: (2E,4E,6E)-2-cyano-7-(4-methylsulfanylphenyl)hepta-2,4,6-trienoic acid Traditional Name: (2E,4E,6E)-2-cyano-7-[4-(methylthio)phenyl]hepta-2,4,6-trienoic acid Formula: C15H13NO2S MolecularWeight: 271.33422

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC=CC=C(C#N)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C=C/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C15H13NO2S/c1-19-14-9-7-12(8-10-14)5-3-2-4-6-13(11-16)15(17)18/h2-10H,1H3,(H,17,18)/b4-2+,5-3+,13-6+