O3-(2-bromoethyl) O2-(diphenylmethyl) 7-acetamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylate

Systemtic Name: O3-(2-bromoethyl) O2-(diphenylmethyl) 7-acetamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylate Openeye Name: O2-benzhydryl O3-(2-bromoethyl) 7-acetamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylate CAS Name: 7-acetamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylic acid O3-(2-bromoethyl) ester O2-(diphenylmethyl) ester IUPAC Name: 2-O-benzhydryl 3-O-(2-bromoethyl) 7-acetamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylate Traditional Name: 7-acetamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylic acid O2-benzhydryl ester O3-(2-bromoethyl) ester Formula: C25H23BrN2O6S MolecularWeight: 559.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(C(=CS2)C(=O)OCCBr)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(C(=CS2)C(=O)OCCBr)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23BrN2O6S/c1-15(29)27-19-22(30)28-20(18(14-35-23(19)28)24(31)33-13-12-26)25(32)34-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19-21,23H,12-13H2,1H3,(H,27,29)