(diphenylmethyl) 7-azido-8-oxidanylidene-3-(pyridin-4-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-azido-8-oxidanylidene-3-(pyridin-4-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-azido-8-oxo-3-(4-pyridylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-azido-8-oxo-3-[(pyridin-4-ylthio)methyl]-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-azido-8-oxo-3-(pyridin-4-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-azido-8-keto-3-[(4-pyridylthio)methyl]-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C(O1)CSC3=CC=NC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)N=[N+]=[N-]

Isomeric SMILES

C1C2C(C(=O)N2C(=C(O1)CSC3=CC=NC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)N=[N+]=[N-]

InChI

InChI=1S/C26H21N5O4S/c27-30-29-22-20-15-34-21(16-36-19-11-13-28-14-12-19)23(31(20)25(22)32)26(33)35-24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20,22,24H,15-16H2