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

Systemtic Name: tert-butyl 3-ethenyl-7-[(2-methanoyloxy-2-phenyl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[(2-formyloxy-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-formyloxy-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-formyloxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(2-formyloxy-2-phenyl-acetyl)amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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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)OC=O)C=C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-5-13-11-31-20-15(19(27)24(20)16(13)21(28)30-22(2,3)4)23-18(26)17(29-12-25)14-9-7-6-8-10-14/h5-10,12,15,17,20H,1,11H2,2-4H3,(H,23,26)