(diphenylmethyl) 8-oxidanylidene-7-(2-phenoxyethanoylamino)-3-prop-2-enylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 8-oxidanylidene-7-(2-phenoxyethanoylamino)-3-prop-2-enylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-allylsulfanyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-3-(prop-2-enylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 8-oxo-7-[(2-phenoxyacetyl)amino]-3-prop-2-enylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(allylthio)-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H28N2O5S2 MolecularWeight: 572.69442

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCSC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H28N2O5S2/c1-2-18-39-24-20-40-30-26(32-25(34)19-37-23-16-10-5-11-17-23)29(35)33(30)27(24)31(36)38-28(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h2-17,26,28,30H,1,18-20H2,(H,32,34)