ethyl (2S)-2-azanyl-3-(4-nitrophenyl)carbonylsulfanyl-propanoate

Systemtic Name: ethyl (2S)-2-azanyl-3-(4-nitrophenyl)carbonylsulfanyl-propanoate Openeye Name: ethyl (2S)-2-amino-3-(4-nitrobenzoyl)sulfanyl-propanoate CAS Name: (2S)-2-amino-3-[[(4-nitrophenyl)-oxomethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-3-(4-nitrobenzoyl)sulfanylpropanoate Traditional Name: (2S)-2-amino-3-[(4-nitrobenzoyl)thio]propionic acid ethyl ester Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/t10-/m1/s1