tert-butyl 3-(hydroxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: tert-butyl 3-(hydroxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: tert-butyl 3-(hydroxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-(hydroxymethyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(hydroxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 8-keto-3-methylol-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)C1C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)CO

InChI

InChI=1S/C20H26N2O5S/c1-20(2,3)27-19(26)16-13(10-23)11-28-18-15(17(25)22(16)18)21-14(24)9-12-7-5-4-6-8-12/h4-8,13,15-16,18,23H,9-11H2,1-3H3,(H,21,24)