[3,4,5-triacetyloxy-6-(5-oxidanylidene-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(5-oxidanylidene-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(5-oxo-3-thioxo-1,2,4-triazin-2-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(5-oxo-3-sulfanylidene-1,2,4-triazin-2-yl)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(5-oxo-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(5-keto-3-thioxo-1,2,4-triazin-2-yl)tetrahydropyran-2-yl]methyl ester Formula: C17H21N3O10S MolecularWeight: 459.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C(=S)NC(=O)C=N2)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)N2C(=S)NC(=O)C=N2)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H21N3O10S/c1-7(21)26-6-11-13(27-8(2)22)14(28-9(3)23)15(29-10(4)24)16(30-11)20-17(31)19-12(25)5-18-20/h5,11,13-16H,6H2,1-4H3,(H,19,25,31)