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

Systemtic Name: tert-butyl 7-azanyl-8-oxidanylidene-3-(phenylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-amino-3-benzyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-(phenylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-amino-3-benzyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-benzyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2N)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3S/c1-18(2,3)23-17(22)14-12(9-11-7-5-4-6-8-11)10-24-16-13(19)15(21)20(14)16/h4-8,13,16H,9-10,19H2,1-3H3