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

Systemtic Name: ethyl (3S,4R,4aR)-2-tert-butylsulfonyl-4-methyl-6-oxidanylidene-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate Openeye Name: ethyl (3S,4R,4aR)-2-tert-butylsulfonyl-4-methyl-6-oxo-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate CAS Name: (3S,4R,4aR)-2-tert-butylsulfonyl-4-methyl-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-methyl-6-oxo-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxylate Traditional Name: (3S,4R,4aR)-2-tert-butylsulfonyl-6-keto-4-methyl-3,4,4a,5-tetrahydro-1H-2-pyrindine-3-carboxylic acid ethyl ester Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H25NO5S/c1-6-22-15(19)14-10(2)13-8-12(18)7-11(13)9-17(14)23(20,21)16(3,4)5/h7,10,13-14H,6,8-9H2,1-5H3/t10-,13-,14+/m1/s1