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

Systemtic Name: tert-butyl 3-[4-methoxycarbonyl-1-methyl-6-oxidanylidene-5-(phenylcarbonyloxy)pyrimidin-2-yl]thiomorpholine-4-carboxylate Openeye Name: tert-butyl 3-(5-benzoyloxy-4-methoxycarbonyl-1-methyl-6-oxo-pyrimidin-2-yl)thiomorpholine-4-carboxylate CAS Name: 3-(5-benzoyloxy-4-methoxycarbonyl-1-methyl-6-oxo-2-pyrimidinyl)-4-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(5-benzoyloxy-4-methoxycarbonyl-1-methyl-6-oxopyrimidin-2-yl)thiomorpholine-4-carboxylate Traditional Name: 3-(5-benzoyloxy-4-carbomethoxy-6-keto-1-methyl-pyrimidin-2-yl)thiomorpholine-4-carboxylic acid tert-butyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSCC1C2=NC(=C(C(=O)N2C)OC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSCC1C2=NC(=C(C(=O)N2C)OC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O7S/c1-23(2,3)33-22(30)26-11-12-34-13-15(26)18-24-16(21(29)31-5)17(19(27)25(18)4)32-20(28)14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3