[(2S)-1-ethoxy-3-(4-nitrophenyl)carbonylsulfanyl-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-ethoxy-3-(4-nitrophenyl)carbonylsulfanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-ethoxy-1-[(4-nitrobenzoyl)sulfanylmethyl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-ethoxy-3-[[(4-nitrophenyl)-oxomethyl]thio]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-ethoxy-3-(4-nitrobenzoyl)sulfanyl-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-ethoxy-2-keto-1-[[(4-nitrobenzoyl)thio]methyl]ethyl]ammonium Formula: C12H15N2O5S+ MolecularWeight: 299.3229

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[NH3+]

Isomeric SMILES

CCOC(=O)[C@@H](CSC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C12H14N2O5S/c1-2-19-11(15)10(13)7-20-12(16)8-3-5-9(6-4-8)14(17)18/h3-6,10H,2,7,13H2,1H3/p+1/t10-/m1/s1