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Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carb-oxy-lic acid eth-oxy-carbonyl-phenyl-methyl-ester.
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ABSTRACT:
SUBMITTER: Mishnev A
PROVIDER: S-EPMC6218899 | biostudies-other | 2018 Nov
REPOSITORIES: biostudies-other
Publications
Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carb-oxy-lic acid eth-oxy-carbonyl-phenyl-methyl-ester.
Acta crystallographica. Section E, Crystallographic communications 20181012 Pt 11
In the title compound, C<sub>25</sub>H<sub>25</sub>NO<sub>5</sub>S, which exhibits metabolism-regulating activity, the 1,4-di-hydro-pyridine ring adopts a flattened boat conformation while the cyclo-hexenone ring is in an envelope conformation. Mol-ecules in the crystal are assembled into <i>C</i>(6) chains along the <i>a</i>-axis direction <i>via</i> N-H⋯O hydrogen bonds. The thienyl fragment is disordered over two sets of sites in a 0.7220 (19):0.2780 (19) ratio. ...[more]