tert-butyl 3-ethenyl-8-oxidanylidene-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 3-ethenyl-8-oxidanylidene-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[(2-hydroxy-2-phenyl-acetyl)amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethenyl-7-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethenyl-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-(mandeloylamino)-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-5-12-11-29-19-14(22-17(25)16(24)13-9-7-6-8-10-13)18(26)23(19)15(12)20(27)28-21(2,3)4/h5-10,14,16,19,24H,1,11H2,2-4H3,(H,22,25)