tert-butyl 3-(hydroxymethyl)-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 3-(hydroxymethyl)-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-(hydroxymethyl)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(hydroxymethyl)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(hydroxymethyl)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-methylol-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2)CO

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2)CO

InChI

InChI=1S/C12H17NO4S/c1-12(2,3)17-11(16)10-8(5-14)18-6-7-4-9(15)13(7)10/h7,14H,4-6H2,1-3H3