(2S)-2-azaniumyl-3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(4-methoxy-3-nitrophenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(4-methoxy-3-nitro-benzyl)thio]propionate Formula: C11H14N2O5S MolecularWeight: 286.30426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(C(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC[C@H](C(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O5S/c1-18-10-3-2-7(4-9(10)13(16)17)5-19-6-8(12)11(14)15/h2-4,8H,5-6,12H2,1H3,(H,14,15)/t8-/m1/s1