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

Systemtic Name: 3-(bromomethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 3-(bromomethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid 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 IUPAC Name: 3-(bromomethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 3-(bromomethyl)-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C16H15BrN2O5S MolecularWeight: 427.2697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2C3N(C2=O)C(C(=CS3)CBr)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2C3N(C2=O)C(C(=CS3)CBr)C(=O)O

InChI

InChI=1S/C16H15BrN2O5S/c17-6-9-8-25-15-12(14(21)19(15)13(9)16(22)23)18-11(20)7-24-10-4-2-1-3-5-10/h1-5,8,12-13,15H,6-7H2,(H,18,20)(H,22,23)