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

Systemtic Name: (E)-2-cyano-3-(4-pentylsulfanylphenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-pentylsulfanylphenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(pentylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4-pentylsulfanylphenyl)prop-2-enoic acid Traditional Name: (E)-3-[4-(amylthio)phenyl]-2-cyano-acrylic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC=C(C=C1)C=C(C#N)C(=O)O

Isomeric SMILES

CCCCCSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C15H17NO2S/c1-2-3-4-9-19-14-7-5-12(6-8-14)10-13(11-16)15(17)18/h5-8,10H,2-4,9H2,1H3,(H,17,18)/b13-10+