tert-butyl 7-acetamido-3-methanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: tert-butyl 7-acetamido-3-methanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: tert-butyl 7-acetamido-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 7-acetamido-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-acetamido-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 7-acetamido-3-formyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(C(=CS2)C=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(C(=CS2)C=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H18N2O5S/c1-7(18)15-9-11(19)16-10(13(20)21-14(2,3)4)8(5-17)6-22-12(9)16/h5-6,9-10,12H,1-4H3,(H,15,18)