(diphenylmethyl) 7-azanyl-3-(bromomethyl)-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-azanyl-3-(bromomethyl)-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-(bromomethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(bromomethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-(bromomethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(bromomethyl)-7-formamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)(N)NC=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CBr

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)(N)NC=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CBr

InChI

InChI=1S/C22H20BrN3O4S/c23-11-16-12-31-21-22(24,25-13-27)20(29)26(21)17(16)19(28)30-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,18,21H,11-12,24H2,(H,25,27)