tert-butyl 7-benzamido-3-(ethoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-benzamido-3-(ethoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-benzamido-3-(ethoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-benzamido-3-(ethoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-benzamido-3-(ethoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-benzamido-3-(ethoxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CCOCC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26N2O5S/c1-5-27-11-14-12-29-19-15(22-17(24)13-9-7-6-8-10-13)18(25)23(19)16(14)20(26)28-21(2,3)4/h6-10,15,19H,5,11-12H2,1-4H3,(H,22,24)