O8-tert-butyl O2-methyl 4-sulfanylidene-3,8-diazabicyclo[3.2.1]octane-2,8-dicarboxylate

Systemtic Name: O8-tert-butyl O2-methyl 4-sulfanylidene-3,8-diazabicyclo[3.2.1]octane-2,8-dicarboxylate Openeye Name: O8-tert-butyl O2-methyl 4-thioxo-3,8-diazabicyclo[3.2.1]octane-2,8-dicarboxylate CAS Name: 4-sulfanylidene-3,8-diazabicyclo[3.2.1]octane-2,8-dicarboxylic acid O8-tert-butyl ester O2-methyl ester IUPAC Name: 8-O-tert-butyl 2-O-methyl 4-sulfanylidene-3,8-diazabicyclo[3.2.1]octane-2,8-dicarboxylate Traditional Name: 4-thioxo-3,8-diazabicyclo[3.2.1]octane-2,8-dicarboxylic acid O8-tert-butyl ester O2-methyl ester Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC1C(=S)NC2C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CCC1C(=S)NC2C(=O)OC

InChI

InChI=1S/C13H20N2O4S/c1-13(2,3)19-12(17)15-7-5-6-8(15)10(20)14-9(7)11(16)18-4/h7-9H,5-6H2,1-4H3,(H,14,20)