ethyl (3S,4R,4aR)-2-tert-butylsulfonyl-4-cyclohexyl-6-oxidanylidene-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate

Systemtic Name: ethyl (3S,4R,4aR)-2-tert-butylsulfonyl-4-cyclohexyl-6-oxidanylidene-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate Openeye Name: ethyl (3S,4R,4aR)-2-tert-butylsulfonyl-4-cyclohexyl-6-oxo-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate CAS Name: (3S,4R,4aR)-2-tert-butylsulfonyl-4-cyclohexyl-6-oxo-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R,4aR)-2-tert-butylsulfonyl-4-cyclohexyl-6-oxo-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate Traditional Name: (3S,4R,4aR)-2-tert-butylsulfonyl-4-cyclohexyl-6-keto-3,4,4a,5-tetrahydro-1H-2-pyrindine-3-carboxylic acid ethyl ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2CC(=O)C=C2CN1S(=O)(=O)C(C)(C)C)C3CCCCC3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H]([C@H]2CC(=O)C=C2CN1S(=O)(=O)C(C)(C)C)C3CCCCC3

InChI

InChI=1S/C21H33NO5S/c1-5-27-20(24)19-18(14-9-7-6-8-10-14)17-12-16(23)11-15(17)13-22(19)28(25,26)21(2,3)4/h11,14,17-19H,5-10,12-13H2,1-4H3/t17-,18+,19-/m0/s1