O1-tert-butyl O2-methyl 4-pyrimidin-2-ylsulfanylpyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl 4-pyrimidin-2-ylsulfanylpyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl 4-pyrimidin-2-ylsulfanylpyrrolidine-1,2-dicarboxylate CAS Name: 4-(2-pyrimidinylthio)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl 4-pyrimidin-2-ylsulfanylpyrrolidine-1,2-dicarboxylate Traditional Name: 4-(2-pyrimidylthio)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)SC2=NC=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)SC2=NC=CC=N2

InChI

InChI=1S/C15H21N3O4S/c1-15(2,3)22-14(20)18-9-10(8-11(18)12(19)21-4)23-13-16-6-5-7-17-13/h5-7,10-11H,8-9H2,1-4H3