tert-butyl 7-(4-methylphenyl)sulfanyl-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: tert-butyl 7-(4-methylphenyl)sulfanyl-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: tert-butyl 7-(p-tolylsulfanyl)-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: 7-[(4-methylphenyl)thio]-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(4-methylphenyl)sulfanyl-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: 7-(p-tolylthio)-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylic acid tert-butyl ester Formula: C18H23NO2S MolecularWeight: 317.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C3CN(C2C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2C3CN(C2C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23NO2S/c1-12-5-8-14(9-6-12)22-16-13-7-10-15(16)19(11-13)17(20)21-18(2,3)4/h5-10,13,15-16H,11H2,1-4H3