phenacyl 7-benzamido-8-oxidanylidene-3-(phenylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: phenacyl 7-benzamido-8-oxidanylidene-3-(phenylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: phenacyl 7-benzamido-3-(benzenesulfonyloxy)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-benzamido-3-(benzenesulfonyloxy)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phenacyl ester IUPAC Name: phenacyl 7-benzamido-3-(benzenesulfonyloxy)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-benzamido-3-besyloxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phenacyl ester Formula: C28H22N2O8S2 MolecularWeight: 578.61288

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O8S2/c31-21(18-10-4-1-5-11-18)16-37-28(34)24-22(38-40(35,36)20-14-8-3-9-15-20)17-39-27-23(26(33)30(24)27)29-25(32)19-12-6-2-7-13-19/h1-15,23,27H,16-17H2,(H,29,32)