tert-butyl 3-methyl-2-oxidanyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: tert-butyl 3-methyl-2-oxidanyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: tert-butyl 2-hydroxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 2-hydroxy-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-hydroxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 2-hydroxy-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N2C(CS1)C(C2=O)NC(=O)COC3=CC=CC=C3)(C(=O)OC(C)(C)C)O

Isomeric SMILES

CC1C(N2C(CS1)C(C2=O)NC(=O)COC3=CC=CC=C3)(C(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H26N2O6S/c1-12-20(26,18(25)28-19(2,3)4)22-14(11-29-12)16(17(22)24)21-15(23)10-27-13-8-6-5-7-9-13/h5-9,12,14,16,26H,10-11H2,1-4H3,(H,21,23)