1-dithiocarboxy-2-(hydroxymethyl)-5-oxidanyl-4-(4H-pyran-2-ylcarbonyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-dithiocarboxy-2-(hydroxymethyl)-5-oxidanyl-4-(4H-pyran-2-ylcarbonyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-dithiocarboxy-5-hydroxy-2-(hydroxymethyl)-4-(4H-pyran-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-dithiocarboxy-5-hydroxy-2-(hydroxymethyl)-4-[oxo(4H-pyran-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-dithiocarboxy-5-hydroxy-2-(hydroxymethyl)-4-(4H-pyran-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-dithiocarboxy-5-hydroxy-2-methylol-4-(4H-pyran-2-carbonyl)proline Formula: C13H15NO6S2 MolecularWeight: 345.3913

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Descriptors Computed from Structure

Canonical SMILES:

C1C=COC(=C1)C(=O)C2CC(N(C2O)C(=S)S)(CO)C(=O)O

Isomeric SMILES

C1C=COC(=C1)C(=O)C2CC(N(C2O)C(=S)S)(CO)C(=O)O

InChI

InChI=1S/C13H15NO6S2/c15-6-13(11(18)19)5-7(10(17)14(13)12(21)22)9(16)8-3-1-2-4-20-8/h2-4,7,10,15,17H,1,5-6H2,(H,18,19)(H,21,22)