4-ethanoyl-5-oxidanyl-2-(sulfanylmethyl)-1,2-dihydropyrrol-3-one

Systemtic Name: 4-ethanoyl-5-oxidanyl-2-(sulfanylmethyl)-1,2-dihydropyrrol-3-one Openeye Name: 4-acetyl-5-hydroxy-2-(sulfanylmethyl)-1,2-dihydropyrrol-3-one CAS Name: 4-acetyl-5-hydroxy-2-(mercaptomethyl)-1,2-dihydropyrrol-3-one IUPAC Name: 4-acetyl-5-hydroxy-2-(sulfanylmethyl)-1,2-dihydropyrrol-3-one Traditional Name: 4-acetyl-5-hydroxy-2-(mercaptomethyl)-2-pyrrolin-3-one Formula: C7H9NO3S MolecularWeight: 187.21626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(C1=O)CS)O

Isomeric SMILES

CC(=O)C1=C(NC(C1=O)CS)O

InChI

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