2-acetamido-3-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]propanoic acid CAS Name: 2-acetamido-3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)thio]propanoic acid IUPAC Name: 2-acetamido-3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[(5-oxido-4-phenyl-furazan-5-ium-3-yl)thio]propionic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=NO[N+](=C1C2=CC=CC=C2)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1=NO[N+](=C1C2=CC=CC=C2)[O-])C(=O)O

InChI

InChI=1S/C13H13N3O5S/c1-8(17)14-10(13(18)19)7-22-12-11(16(20)21-15-12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,14,17)(H,18,19)