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

Systemtic Name: (E)-2-cyano-3-(4-ethylsulfanylphenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-ethylsulfanylphenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(ethylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4-ethylsulfanylphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-(ethylthio)phenyl]acrylic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C=C(C#N)C(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C12H11NO2S/c1-2-16-11-5-3-9(4-6-11)7-10(8-13)12(14)15/h3-7H,2H2,1H3,(H,14,15)/b10-7+