(Z)-2-cyano-3-(5-methyl-2-methylsulfanyl-phenyl)but-2-enoic acid

Systemtic Name: (Z)-2-cyano-3-(5-methyl-2-methylsulfanyl-phenyl)but-2-enoic acid Openeye Name: (Z)-2-cyano-3-(5-methyl-2-methylsulfanyl-phenyl)but-2-enoic acid CAS Name: (Z)-2-cyano-3-[5-methyl-2-(methylthio)phenyl]-2-butenoic acid IUPAC Name: (Z)-2-cyano-3-(5-methyl-2-methylsulfanylphenyl)but-2-enoic acid Traditional Name: (Z)-2-cyano-3-[5-methyl-2-(methylthio)phenyl]but-2-enoic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC)C(=C(C#N)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC)/C(=C(/C#N)\C(=O)O)/C

InChI

InChI=1S/C13H13NO2S/c1-8-4-5-12(17-3)10(6-8)9(2)11(7-14)13(15)16/h4-6H,1-3H3,(H,15,16)/b11-9-