[(1S,2R,5S)-4-methylimino-9-oxidanylidene-5-pyridin-3-yl-3-thiabicyclo[3.3.1]nonan-2-yl] ethanoate

Systemtic Name: [(1S,2R,5S)-4-methylimino-9-oxidanylidene-5-pyridin-3-yl-3-thiabicyclo[3.3.1]nonan-2-yl] ethanoate Openeye Name: [(1S,2R,5S)-4-methylimino-9-oxo-5-(3-pyridyl)-3-thiabicyclo[3.3.1]nonan-2-yl] acetate CAS Name: acetic acid [(1S,2R,5S)-4-methylimino-9-oxo-5-(3-pyridinyl)-3-thiabicyclo[3.3.1]nonan-2-yl] ester IUPAC Name: [(1S,2R,5S)-4-methylimino-9-oxo-5-pyridin-3-yl-3-thiabicyclo[3.3.1]nonan-2-yl] acetate Traditional Name: acetic acid [(1S,2R,5S)-9-keto-4-methylimino-5-(3-pyridyl)-3-thiabicyclo[3.3.1]nonan-2-yl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2CCCC(C2=O)(C(=NC)S1)C3=CN=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1[C@H]2CCC[C@](C2=O)(C(=NC)S1)C3=CN=CC=C3

InChI

InChI=1S/C16H18N2O3S/c1-10(19)21-14-12-6-3-7-16(13(12)20,15(17-2)22-14)11-5-4-8-18-9-11/h4-5,8-9,12,14H,3,6-7H2,1-2H3/t12-,14+,16-/m0/s1