tert-butyl 7-azanyl-3-(chloromethyl)-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-azanyl-3-(chloromethyl)-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-amino-3-(chloromethyl)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(chloromethyl)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-amino-3-(chloromethyl)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(chloromethyl)-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C12H17ClN2O3S MolecularWeight: 304.79298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2N)CCl

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2N)CCl

InChI

InChI=1S/C12H17ClN2O3S/c1-12(2,3)18-11(17)9-7(4-13)19-5-6-8(14)10(16)15(6)9/h6,8H,4-5,14H2,1-3H3