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

Systemtic Name: phenacyl 7-benzamido-3-bromanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: phenacyl 7-benzamido-3-bromo-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-benzamido-3-bromo-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phenacyl ester IUPAC Name: phenacyl 7-benzamido-3-bromo-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-benzamido-3-bromo-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phenacyl ester Formula: C22H17BrN2O5S MolecularWeight: 501.34978

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O5S/c23-15-12-31-21-17(24-19(27)14-9-5-2-6-10-14)20(28)25(21)18(15)22(29)30-11-16(26)13-7-3-1-4-8-13/h1-10,17,21H,11-12H2,(H,24,27)