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

Systemtic Name: (diphenylmethyl) 7-azanyl-8-oxidanylidene-3-phenylsulfanylcarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-8-oxo-3-phenylsulfanylcarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-[oxo-(phenylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-8-oxo-3-phenylsulfanylcarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-(phenylthio)carbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C27H22N2O4S2 MolecularWeight: 502.60458

Click to see the large picture

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)C(=O)SC5=CC=CC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)SC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O4S2/c28-21-24(30)29-22(20(16-34-25(21)29)27(32)35-19-14-8-3-9-15-19)26(31)33-23(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21,23,25H,16,28H2