(2S)-2-acetamido-3-(4-nitrophenyl)sulfanyl-propanoate

Systemtic Name: (2S)-2-acetamido-3-(4-nitrophenyl)sulfanyl-propanoate Openeye Name: (2S)-2-acetamido-3-(4-nitrophenyl)sulfanyl-propanoate CAS Name: (2S)-2-acetamido-3-[(4-nitrophenyl)thio]propanoate IUPAC Name: (2S)-2-acetamido-3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-acetamido-3-[(4-nitrophenyl)thio]propionate Formula: C11H11N2O5S- MolecularWeight: 283.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H12N2O5S/c1-7(14)12-10(11(15)16)6-19-9-4-2-8(3-5-9)13(17)18/h2-5,10H,6H2,1H3,(H,12,14)(H,15,16)/p-1/t10-/m1/s1