ethyl (3R,4S,5R)-4-(diethoxyphosphorylamino)-5-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4S,5R)-4-(diethoxyphosphorylamino)-5-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4S,5R)-4-(diethoxyphosphorylamino)-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-4-(diethoxyphosphorylamino)-5-methylsulfonyloxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S,5R)-4-(diethoxyphosphorylamino)-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-4-(diethoxyphosphorylamino)-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C19H36NO9PS MolecularWeight: 485.529201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NP(=O)(OCC)OCC)OS(=O)(=O)C)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@H]([C@H]1NP(=O)(OCC)OCC)OS(=O)(=O)C)C(=O)OCC

InChI

InChI=1S/C19H36NO9PS/c1-7-15(8-2)28-16-12-14(19(21)25-9-3)13-17(29-31(6,23)24)18(16)20-30(22,26-10-4)27-11-5/h12,15-18H,7-11,13H2,1-6H3,(H,20,22)/t16-,17-,18+/m1/s1