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

Systemtic Name: tert-butyl 3-(methoxymethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-(methoxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(methoxymethyl)-8-oxo-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 3-(methoxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-(methoxymethyl)-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-21(2,3)29-20(26)17-13(10-27-4)12-30-19-16(18(25)23(17)19)22-15(24)11-28-14-8-6-5-7-9-14/h5-9,16,19H,10-12H2,1-4H3,(H,22,24)