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

Systemtic Name: ethyl (3S,4R,4aR)-2-tert-butylsulfonyl-6-oxidanylidene-4-propan-2-yl-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate Openeye Name: ethyl (3S,4R,4aR)-2-tert-butylsulfonyl-4-isopropyl-6-oxo-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate CAS Name: (3S,4R,4aR)-2-tert-butylsulfonyl-6-oxo-4-propan-2-yl-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R,4aR)-2-tert-butylsulfonyl-6-oxo-4-propan-2-yl-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate Traditional Name: (3S,4R,4aR)-2-tert-butylsulfonyl-4-isopropyl-6-keto-3,4,4a,5-tetrahydro-1H-2-pyrindine-3-carboxylic acid ethyl ester Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO5S/c1-7-24-17(21)16-15(11(2)3)14-9-13(20)8-12(14)10-19(16)25(22,23)18(4,5)6/h8,11,14-16H,7,9-10H2,1-6H3/t14-,15+,16-/m0/s1