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

Systemtic Name: butyl 7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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