(1S,4R,8R)-8-methyl-4-(4-methylphenyl)sulfanyl-2-(4-methylphenyl)sulfonyl-3-oxidanylidene-2-azabicyclo[2.2.2]oct-5-ene-8-carbaldehyde

Systemtic Name: (1S,4R,8R)-8-methyl-4-(4-methylphenyl)sulfanyl-2-(4-methylphenyl)sulfonyl-3-oxidanylidene-2-azabicyclo[2.2.2]oct-5-ene-8-carbaldehyde Openeye Name: (1S,4R,8R)-8-methyl-3-oxo-4-(p-tolylsulfanyl)-2-(p-tolylsulfonyl)-2-azabicyclo[2.2.2]oct-5-ene-8-carbaldehyde CAS Name: (1S,4R,8R)-8-methyl-2-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)thio]-3-oxo-2-azabicyclo[2.2.2]oct-5-ene-8-carboxaldehyde IUPAC Name: (1S,4R,8R)-8-methyl-4-(4-methylphenyl)sulfanyl-2-(4-methylphenyl)sulfonyl-3-oxo-2-azabicyclo[2.2.2]oct-5-ene-8-carbaldehyde Traditional Name: (1S,4R,8R)-3-keto-8-methyl-4-(p-tolylthio)-2-tosyl-2-azabicyclo[2.2.2]oct-5-ene-8-carbaldehyde Formula: C23H23NO4S2 MolecularWeight: 441.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC23C=CC(CC2(C)C=O)N(C3=O)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@]23C=C[C@H](C[C@]2(C)C=O)N(C3=O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H23NO4S2/c1-16-4-8-19(9-5-16)29-23-13-12-18(14-22(23,3)15-25)24(21(23)26)30(27,28)20-10-6-17(2)7-11-20/h4-13,15,18H,14H2,1-3H3/t18-,22-,23+/m1/s1