(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(methylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-(methylthio)phenyl]acrylic acid Formula: C11H9NO2S MolecularWeight: 219.25966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO2S/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b9-6+