(2S)-2-ethanoylsulfanyl-3-(4-nitrophenyl)propanoic acid

Systemtic Name: (2S)-2-ethanoylsulfanyl-3-(4-nitrophenyl)propanoic acid Openeye Name: (2S)-2-acetylsulfanyl-3-(4-nitrophenyl)propanoic acid CAS Name: (2S)-2-(acetylthio)-3-(4-nitrophenyl)propanoic acid IUPAC Name: (2S)-2-acetylsulfanyl-3-(4-nitrophenyl)propanoic acid Traditional Name: (2S)-2-(acetylthio)-3-(4-nitrophenyl)propionic acid Formula: C11H11NO5S MolecularWeight: 269.27374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)S[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H11NO5S/c1-7(13)18-10(11(14)15)6-8-2-4-9(5-3-8)12(16)17/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1