1-[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: 1-[5-(2-furyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid 1-[5-(2-furanyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl ester IUPAC Name: 1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid 1-[5-(2-furyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)OC(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC(C1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)OC(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O6S2/c1-11(28-19(24)12-5-7-22(8-6-12)30(2,25)26)16-20-17(23)15-13(10-29-18(15)21-16)14-4-3-9-27-14/h3-4,9-12H,5-8H2,1-2H3,(H,20,21,23)