methyl 1-[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyloxy)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyloxy)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethoxy]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]oxyacetyl]isonipecotic acid methyl ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C17H19N3O5S2/c1-24-17(23)11-2-5-20(6-3-11)13(21)8-25-14(22)9-27-16-12-4-7-26-15(12)18-10-19-16/h4,7,10-11H,2-3,5-6,8-9H2,1H3