tert-butyl 3-(4-aminophenyl)-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: tert-butyl 3-(4-aminophenyl)-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: tert-butyl 3-(4-aminophenyl)-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(4-aminophenyl)-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-aminophenyl)-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(4-aminophenyl)-7-keto-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)C4=CC=C(C=C4)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)C4=CC=C(C=C4)N

InChI

InChI=1S/C24H25N3O5S/c1-24(2,3)32-23(30)19-20(14-9-11-15(25)12-10-14)33-22-18(21(29)27(19)22)26-17(28)13-31-16-7-5-4-6-8-16/h4-12,18,22H,13,25H2,1-3H3,(H,26,28)