(2S)-2-[(2,2-dicyano-1-methylsulfanyl-ethenyl)azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[(2,2-dicyano-1-methylsulfanyl-ethenyl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[(2,2-dicyano-1-methylsulfanyl-vinyl)ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[[2,2-dicyano-1-(methylthio)ethenyl]ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[(2,2-dicyano-1-methylsulfanylethenyl)azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[[2,2-dicyano-1-(methylthio)vinyl]ammonio]-2-phenyl-acetate Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C#N)[NH2+]C(C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CSC(=C(C#N)C#N)[NH2+][C@@H](C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C13H11N3O2S/c1-19-12(10(7-14)8-15)16-11(13(17)18)9-5-3-2-4-6-9/h2-6,11,16H,1H3,(H,17,18)/t11-/m0/s1