tert-butyl 3-[6-methoxycarbonyl-4-oxidanylidene-5-(phenylcarbonyloxy)-1H-pyrimidin-2-yl]thiomorpholine-4-carboxylate

Systemtic Name: tert-butyl 3-[6-methoxycarbonyl-4-oxidanylidene-5-(phenylcarbonyloxy)-1H-pyrimidin-2-yl]thiomorpholine-4-carboxylate Openeye Name: tert-butyl 3-(5-benzoyloxy-6-methoxycarbonyl-4-oxo-1H-pyrimidin-2-yl)thiomorpholine-4-carboxylate CAS Name: 3-(5-benzoyloxy-6-methoxycarbonyl-4-oxo-1H-pyrimidin-2-yl)-4-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(5-benzoyloxy-6-methoxycarbonyl-4-oxo-1H-pyrimidin-2-yl)thiomorpholine-4-carboxylate Traditional Name: 3-(5-benzoyloxy-6-carbomethoxy-4-keto-1H-pyrimidin-2-yl)thiomorpholine-4-carboxylic acid tert-butyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSCC1C2=NC(=O)C(=C(N2)C(=O)OC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSCC1C2=NC(=O)C(=C(N2)C(=O)OC)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O7S/c1-22(2,3)32-21(29)25-10-11-33-12-14(25)17-23-15(20(28)30-4)16(18(26)24-17)31-19(27)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,23,24,26)