butyl 3-(bromomethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: butyl 3-(bromomethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: butyl 3-(bromomethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-(bromomethyl)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid butyl ester IUPAC Name: butyl 3-(bromomethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-(bromomethyl)-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid butyl ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(=CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)CBr

Isomeric SMILES

CCCCOC(=O)C1C(=CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)CBr

InChI

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