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

Systemtic Name: tert-butyl 3-(bromomethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-(bromomethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(bromomethyl)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(bromomethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(bromomethyl)-8-keto-7-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)CBr

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)CBr

InChI

InChI=1S/C20H23BrN2O5S/c1-20(2,3)28-19(26)17-14(9-21)29-11-13-16(18(25)23(13)17)22-15(24)10-27-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3,(H,22,24)