methyl (3S,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-oxidanylidene-6-propyl-2-sulfanylidene-pyrimidin-1-yl)oxane-2-carboxylate

Systemtic Name: methyl (3S,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-oxidanylidene-6-propyl-2-sulfanylidene-pyrimidin-1-yl)oxane-2-carboxylate Openeye Name: methyl (3S,4S,5S,6R)-3,4,5-triacetoxy-6-(4-oxo-6-propyl-2-thioxo-pyrimidin-1-yl)tetrahydropyran-2-carboxylate CAS Name: (3S,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-oxo-6-propyl-2-sulfanylidene-1-pyrimidinyl)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-oxo-6-propyl-2-sulfanylidenepyrimidin-1-yl)oxane-2-carboxylate Traditional Name: (3S,4S,5S,6R)-3,4,5-triacetoxy-6-(4-keto-6-propyl-2-thioxo-pyrimidin-1-yl)tetrahydropyran-2-carboxylic acid methyl ester Formula: C20H26N2O10S MolecularWeight: 486.49284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)NC(=S)N1C2C(C(C(C(O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCC1=CC(=O)NC(=S)N1[C@H]2[C@H]([C@H]([C@@H](C(O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H26N2O10S/c1-6-7-12-8-13(26)21-20(33)22(12)18-16(31-11(4)25)14(29-9(2)23)15(30-10(3)24)17(32-18)19(27)28-5/h8,14-18H,6-7H2,1-5H3,(H,21,26,33)/t14-,15-,16-,17?,18+/m0/s1