sodium 4-ethanoyl-5-oxidanylidene-2-(sulfanylmethyl)-1,2-dihydropyrrol-3-olate

Systemtic Name: sodium 4-ethanoyl-5-oxidanylidene-2-(sulfanylmethyl)-1,2-dihydropyrrol-3-olate Openeye Name: sodium 4-acetyl-5-oxo-2-(sulfanylmethyl)-1,2-dihydropyrrol-3-olate CAS Name: sodium 4-acetyl-2-(mercaptomethyl)-5-oxo-1,2-dihydropyrrol-3-olate IUPAC Name: sodium 4-acetyl-5-oxo-2-(sulfanylmethyl)-1,2-dihydropyrrol-3-olate Traditional Name: sodium 4-acetyl-5-keto-2-(mercaptomethyl)-3-pyrrolin-3-olate Formula: C7H8NNaO3S MolecularWeight: 209.19809

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(NC1=O)CS)[O-].[Na+]

Isomeric SMILES

CC(=O)C1=C(C(NC1=O)CS)[O-].[Na+]

InChI

InChI=1S/C7H9NO3S.Na/c1-3(9)5-6(10)4(2-12)8-7(5)11;/h4,10,12H,2H2,1H3,(H,8,11);/q;+1/p-1