(Z)-2-cyano-3-(2-methylsulfanylphenyl)but-2-enoic acid

Systemtic Name: (Z)-2-cyano-3-(2-methylsulfanylphenyl)but-2-enoic acid Openeye Name: (Z)-2-cyano-3-(2-methylsulfanylphenyl)but-2-enoic acid CAS Name: (Z)-2-cyano-3-[2-(methylthio)phenyl]-2-butenoic acid IUPAC Name: (Z)-2-cyano-3-(2-methylsulfanylphenyl)but-2-enoic acid Traditional Name: (Z)-2-cyano-3-[2-(methylthio)phenyl]but-2-enoic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)O)C1=CC=CC=C1SC

Isomeric SMILES

C/C(=C(\C#N)/C(=O)O)/C1=CC=CC=C1SC

InChI

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