[(3S)-3-cyano-4-oxidanylidene-5-(2-phenylsulfanylethanoyloxy)pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-4-oxidanylidene-5-(2-phenylsulfanylethanoyloxy)pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-1-methylene-3-oxo-4-(2-phenylsulfanylacetyl)oxy-butyl]ammonium CAS Name: [(3S)-3-cyano-4-oxo-5-[1-oxo-2-(phenylthio)ethoxy]pent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-4-oxo-5-(2-phenylsulfanylacetyl)oxypent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-2-keto-3-[2-(phenylthio)acetyl]oxy-propyl]vinylammonium Formula: C14H15N2O3S+ MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)CSC1=CC=CC=C1)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)CSC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C14H14N2O3S/c1-10(16)12(7-15)13(17)8-19-14(18)9-20-11-5-3-2-4-6-11/h2-6,12H,1,8-9,16H2/p+1/t12-/m1/s1