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

Systemtic Name: methyl 1-[2-[4-(1,3-dithian-2-yl)phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(1,3-dithian-2-yl)benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(1,3-dithian-2-yl)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(1,3-dithian-2-yl)benzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(1,3-dithian-2-yl)benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C20H25NO5S2/c1-25-18(23)15-7-9-21(10-8-15)17(22)13-26-19(24)14-3-5-16(6-4-14)20-27-11-2-12-28-20/h3-6,15,20H,2,7-13H2,1H3