methyl 4-[[6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]piperazine-1-carbodithioate

Systemtic Name: methyl 4-[[6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]piperazine-1-carbodithioate Openeye Name: methyl 4-[[7-hydroxy-2-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-8-yl]methyl]piperazine-1-carbodithioate CAS Name: 4-[[7-hydroxy-2-oxo-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-8-yl]methyl]-1-piperazinecarbodithioic acid methyl ester IUPAC Name: methyl 4-[[7-hydroxy-2-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]methyl]piperazine-1-carbodithioate Traditional Name: 4-[[7-hydroxy-2-keto-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromen-8-yl]methyl]piperazine-1-carbodithioic acid methyl ester Formula: C22H28N2O9S2 MolecularWeight: 528.59572

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)N1CCN(CC1)CC2=C3C(=CC(=C2O)OC4C(C(C(C(O4)CO)O)O)O)C=CC(=O)O3

Isomeric SMILES

CSC(=S)N1CCN(CC1)CC2=C3C(=CC(=C2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=CC(=O)O3

InChI

InChI=1S/C22H28N2O9S2/c1-35-22(34)24-6-4-23(5-7-24)9-12-16(27)13(8-11-2-3-15(26)33-20(11)12)31-21-19(30)18(29)17(28)14(10-25)32-21/h2-3,8,14,17-19,21,25,27-30H,4-7,9-10H2,1H3/t14-,17-,18+,19-,21-/m1/s1