methyl 2-phenyl-3-phenylsulfanyl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate

Systemtic Name: methyl 2-phenyl-3-phenylsulfanyl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate Openeye Name: methyl 2-phenyl-3-phenylsulfanyl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate CAS Name: 2-phenyl-3-(phenylthio)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylic acid methyl ester IUPAC Name: methyl 2-phenyl-3-phenylsulfanyl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate Traditional Name: 2-phenyl-3-(phenylthio)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylic acid methyl ester Formula: C20H19NO2S MolecularWeight: 337.43536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2CCC1C(=C2C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1C2CCC1C(=C2C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C20H19NO2S/c1-23-20(22)21-16-12-13-17(21)19(24-15-10-6-3-7-11-15)18(16)14-8-4-2-5-9-14/h2-11,16-17H,12-13H2,1H3