tert-butyl 8-oxidanylidene-3-(oxolan-2-yl)-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 8-oxidanylidene-3-(oxolan-2-yl)-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 8-oxo-7-[(2-phenoxyacetyl)amino]-3-tetrahydrofuran-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-3-(2-oxolanyl)-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-oxo-3-(oxolan-2-yl)-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenoxyacetyl)amino]-3-(tetrahydrofuryl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)C4CCCO4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)C4CCCO4

InChI

InChI=1S/C23H28N2O6S/c1-23(2,3)31-22(28)19-15(16-10-7-11-29-16)13-32-21-18(20(27)25(19)21)24-17(26)12-30-14-8-5-4-6-9-14/h4-6,8-9,16,18,21H,7,10-13H2,1-3H3,(H,24,26)