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

Systemtic Name: (diphenylmethyl) 3-(bromomethyl)-7-formamido-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-(bromomethyl)-7-formamido-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(bromomethyl)-7-formamido-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-(bromomethyl)-7-formamido-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(bromomethyl)-7-formamido-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C23H21BrN2O5S MolecularWeight: 517.39224

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CBr)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC=O

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CBr)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC=O

InChI

InChI=1S/C23H21BrN2O5S/c1-30-23(25-14-27)21(29)26-18(17(12-24)13-32-22(23)26)20(28)31-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,19,22H,12-13H2,1H3,(H,25,27)