2-(hydroxymethyl)-2-methoxycarbonyl-5-oxidanyl-4-oxidanylidene-3-(4H-pyran-2-ylmethyl)pyrrolidine-1-carbodithioic acid

Systemtic Name: 2-(hydroxymethyl)-2-methoxycarbonyl-5-oxidanyl-4-oxidanylidene-3-(4H-pyran-2-ylmethyl)pyrrolidine-1-carbodithioic acid Openeye Name: 5-hydroxy-2-(hydroxymethyl)-2-methoxycarbonyl-4-oxo-3-(4H-pyran-2-ylmethyl)pyrrolidine-1-carbodithioic acid CAS Name: 5-hydroxy-2-(hydroxymethyl)-2-methoxycarbonyl-4-oxo-3-(4H-pyran-2-ylmethyl)-1-pyrrolidinecarbodithioic acid IUPAC Name: 5-hydroxy-2-(hydroxymethyl)-2-methoxycarbonyl-4-oxo-3-(4H-pyran-2-ylmethyl)pyrrolidine-1-carbodithioic acid Traditional Name: 2-carbomethoxy-5-hydroxy-4-keto-2-methylol-3-(4H-pyran-2-ylmethyl)pyrrolidine-1-carbodithioic acid Formula: C14H17NO6S2 MolecularWeight: 359.41788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)C(N1C(=S)S)O)CC2=CCC=CO2)CO

Isomeric SMILES

COC(=O)C1(C(C(=O)C(N1C(=S)S)O)CC2=CCC=CO2)CO

InChI

InChI=1S/C14H17NO6S2/c1-20-12(19)14(7-16)9(6-8-4-2-3-5-21-8)10(17)11(18)15(14)13(22)23/h3-5,9,11,16,18H,2,6-7H2,1H3,(H,22,23)