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

Systemtic Name: ethyl (3S,4S,4aR)-2-tert-butylsulfonyl-6-oxidanylidene-4-phenyl-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate Openeye Name: ethyl (3S,4S,4aR)-2-tert-butylsulfonyl-6-oxo-4-phenyl-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate CAS Name: (3S,4S,4aR)-2-tert-butylsulfonyl-6-oxo-4-phenyl-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S,4aR)-2-tert-butylsulfonyl-6-oxo-4-phenyl-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate Traditional Name: (3S,4S,4aR)-2-tert-butylsulfonyl-6-keto-4-phenyl-3,4,4a,5-tetrahydro-1H-2-pyrindine-3-carboxylic acid ethyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2CC(=O)C=C2CN1S(=O)(=O)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H]([C@H]2CC(=O)C=C2CN1S(=O)(=O)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H27NO5S/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/h6-11,17-19H,5,12-13H2,1-4H3/t17-,18+,19-/m0/s1