(phenylmethyl) 3-oxidanyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1,3-diazabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-oxidanyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1,3-diazabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzyl 3-hydroxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-hydroxy-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]octane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-hydroxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-hydroxy-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]octane-2-carboxylic acid benzyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

C1N(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C21H21N3O6S/c25-16(12-29-15-9-5-2-6-10-15)22-17-19(26)24-18(23(28)13-31-20(17)24)21(27)30-11-14-7-3-1-4-8-14/h1-10,17-18,20,28H,11-13H2,(H,22,25)