methyl 3-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]propanoate

Systemtic Name: methyl 3-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]propanoate CAS Name: 3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-oxido-4-phenyl-furazan-5-ium-3-yl)thio]propionic acid methyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NO[N+](=C1C2=CC=CC=C2)[O-]

Isomeric SMILES

COC(=O)CCSC1=NO[N+](=C1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H12N2O4S/c1-17-10(15)7-8-19-12-11(14(16)18-13-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3