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

Systemtic Name: ethyl (3R,4S,5R)-5-formamido-4-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4S,5R)-3-(1-ethylpropoxy)-5-formamido-4-methylsulfonyloxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-5-formamido-4-methylsulfonyloxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S,5R)-5-formamido-4-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-3-(1-ethylpropoxy)-5-formamido-4-methylsulfonyloxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C16H27NO7S MolecularWeight: 377.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1OS(=O)(=O)C)NC=O)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO7S/c1-5-12(6-2)23-14-9-11(16(19)22-7-3)8-13(17-10-18)15(14)24-25(4,20)21/h9-10,12-15H,5-8H2,1-4H3,(H,17,18)/t13-,14-,15+/m1/s1