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

Systemtic Name: (diphenylmethyl) 7-azanyl-3-[(3-chlorophenyl)carbamoyloxymethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-[(3-chlorophenyl)carbamoyloxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[(3-chloroanilino)-oxomethoxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-[(3-chlorophenyl)carbamoyloxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-[(3-chlorophenyl)carbamoyloxymethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C28H24ClN3O5S MolecularWeight: 550.02526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)COC(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)COC(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H24ClN3O5S/c29-20-12-7-13-21(14-20)31-28(35)36-15-19-16-38-26-22(30)25(33)32(26)23(19)27(34)37-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,22,24,26H,15-16,30H2,(H,31,35)