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

Systemtic Name: ethyl (3R,4S,5R)-4-acetamido-5-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4S,5R)-4-acetamido-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-4-acetamido-5-methylsulfonyloxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S,5R)-4-acetamido-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-4-acetamido-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C17H29NO7S MolecularWeight: 391.47966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)OS(=O)(=O)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO7S/c1-6-13(7-2)24-14-9-12(17(20)23-8-3)10-15(25-26(5,21)22)16(14)18-11(4)19/h9,13-16H,6-8,10H2,1-5H3,(H,18,19)/t14-,15-,16+/m1/s1