3-diphenylphosphoryloxy-8-oxidanylidene-4-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-diphenylphosphoryloxy-8-oxidanylidene-4-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-diphenylphosphoryloxy-8-oxo-4-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-diphenylphosphoryloxy-8-oxo-4-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-diphenylphosphoryloxy-8-oxo-4-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-diphenylphosphoryloxy-8-keto-4-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C27H22N2O7PS- MolecularWeight: 549.511541

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(C(S2)NC(=O)COC3=CC=CC=C3)OP(=O)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=C(C(S2)NC(=O)COC3=CC=CC=C3)OP(=O)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C27H23N2O7PS/c30-21(17-35-18-10-4-1-5-11-18)28-26-25(24(27(32)33)29-22(31)16-23(29)38-26)36-37(34,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23,26H,16-17H2,(H,28,30)(H,32,33)/p-1