(diphenylmethyl) 7-azanyl-3-(cyanomethylsulfanyl)-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-azanyl-3-(cyanomethylsulfanyl)-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-(cyanomethylsulfanyl)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(cyanomethylthio)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-(cyanomethylsulfanyl)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(cyanomethylthio)-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C(S1)SCC#N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

C1C2C(C(=O)N2C(=C(S1)SCC#N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C22H19N3O3S2/c23-11-12-29-22-18(25-16(13-30-22)17(24)20(25)26)21(27)28-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17,19H,12-13,24H2