methyl 1-[2-[4-(1,3-dithiolan-2-yl)phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4-(1,3-dithiolan-2-yl)phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(1,3-dithiolan-2-yl)benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(1,3-dithiolan-2-yl)benzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(1,3-dithiolan-2-yl)benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C19H23NO5S2/c1-24-17(22)14-6-8-20(9-7-14)16(21)12-25-18(23)13-2-4-15(5-3-13)19-26-10-11-27-19/h2-5,14,19H,6-12H2,1H3