methyl (1S,4R)-2-phenylsulfanyl-3-(phenylsulfonyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate

Systemtic Name: methyl (1S,4R)-2-phenylsulfanyl-3-(phenylsulfonyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate Openeye Name: methyl (1S,4R)-3-(benzenesulfonyl)-2-phenylsulfanyl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate CAS Name: (1S,4R)-3-(benzenesulfonyl)-2-(phenylthio)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylic acid methyl ester IUPAC Name: methyl (1S,4R)-3-(benzenesulfonyl)-2-phenylsulfanyl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate Traditional Name: (1S,4R)-3-besyl-2-(phenylthio)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylic acid methyl ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2CCC1C(=C2SC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1[C@H]2CC[C@@H]1C(=C2SC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19NO4S2/c1-25-20(22)21-16-12-13-17(21)19(18(16)26-14-8-4-2-5-9-14)27(23,24)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1