ethyl (3R,4S,5S,6R)-4-acetamido-5-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4S,5S,6R)-4-acetamido-5-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4S,5S,6R)-4-acetamido-3-(1-ethylpropoxy)-6-hydroxy-5-(p-tolylsulfonyloxy)cyclohexene-1-carboxylate CAS Name: (3R,4S,5S,6R)-4-acetamido-6-hydroxy-5-(4-methylphenyl)sulfonyloxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S,5S,6R)-4-acetamido-6-hydroxy-5-(4-methylphenyl)sulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5S,6R)-4-acetamido-3-(1-ethylpropoxy)-6-hydroxy-5-tosyloxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C23H33NO8S MolecularWeight: 483.57502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(C(C(C1NC(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C)O)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C([C@H]([C@H]([C@H]1NC(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C)O)C(=O)OCC

InChI

InChI=1S/C23H33NO8S/c1-6-16(7-2)31-19-13-18(23(27)30-8-3)21(26)22(20(19)24-15(5)25)32-33(28,29)17-11-9-14(4)10-12-17/h9-13,16,19-22,26H,6-8H2,1-5H3,(H,24,25)/t19-,20+,21-,22+/m1/s1