(2-sulfanylidenepyridin-1-yl) 2,4,6,8-tetrakis(acetyloxymethyl)cubane-1-carboxylate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 2,4,6,8-tetrakis(acetyloxymethyl)cubane-1-carboxylate Openeye Name: (2-thioxo-1-pyridyl) 2,4,6,8-tetrakis(acetoxymethyl)cubane-1-carboxylate CAS Name: 2,4,6,8-tetrakis(acetyloxymethyl)-1-cubanecarboxylic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 2,4,6,8-tetrakis(acetyloxymethyl)cubane-1-carboxylate Traditional Name: 2,4,6,8-tetrakis(acetoxymethyl)cubane-1-carboxylic acid (2-thioxo-1-pyridyl) ester Formula: C26H27NO10S MolecularWeight: 545.55828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12C3C4(C1C5(C2C3(C45C(=O)ON6C=CC=CC6=S)COC(=O)C)COC(=O)C)COC(=O)C

Isomeric SMILES

CC(=O)OCC12C3C4(C1C5(C2C3(C45C(=O)ON6C=CC=CC6=S)COC(=O)C)COC(=O)C)COC(=O)C

InChI

InChI=1S/C26H27NO10S/c1-13(28)33-9-22-18-23(10-34-14(2)29)19(22)25(12-36-16(4)31)20(22)24(18,11-35-15(3)30)26(23,25)21(32)37-27-8-6-5-7-17(27)38/h5-8,18-20H,9-12H2,1-4H3