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

Systemtic Name: tert-butyl 3-methylidene-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: tert-butyl 3-methylene-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-methylene-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-methylidene-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 8-keto-3-methylene-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-12-11-27-18-15(21-14(23)10-13-8-6-5-7-9-13)17(24)22(18)16(12)19(25)26-20(2,3)4/h5-9,15-16,18H,1,10-11H2,2-4H3,(H,21,23)