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

Systemtic Name: (E)-3-(4-butylsulfanylphenyl)-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-(4-butylsulfanylphenyl)-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[4-(butylthio)phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-(4-butylsulfanylphenyl)-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[4-(butylthio)phenyl]-2-cyano-acrylic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO2S/c1-2-3-8-18-13-6-4-11(5-7-13)9-12(10-15)14(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17)/b12-9+