3-(azidomethyl)-7-(2-bromanylethanoylamino)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(azidomethyl)-7-(2-bromanylethanoylamino)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(azidomethyl)-7-[(2-bromoacetyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(azidomethyl)-7-[(2-bromo-1-oxoethyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(azidomethyl)-7-[(2-bromoacetyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(azidomethyl)-7-[(2-bromoacetyl)amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H12BrN5O5S MolecularWeight: 406.21248

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CN=[N+]=[N-])C(=O)O)NC(=O)CBr

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CN=[N+]=[N-])C(=O)O)NC(=O)CBr

InChI

InChI=1S/C11H12BrN5O5S/c1-22-11(15-6(18)2-12)9(21)17-7(8(19)20)5(3-14-16-13)4-23-10(11)17/h10H,2-4H2,1H3,(H,15,18)(H,19,20)