tert-butyl 7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: tert-butyl 7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CC2N1C(=O)C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CC2N1C(=O)C2)SC3=CC=CC=C3

InChI

InChI=1S/C17H19NO3S/c1-17(2,3)21-16(20)15-13(9-11-10-14(19)18(11)15)22-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3