methyl (1R,2S,5S)-3-[bis(methylsulfanyl)methyl]-4-cyano-2-oxidanyl-2,5-diphenyl-cyclopent-3-ene-1-carboxylate

Systemtic Name: methyl (1R,2S,5S)-3-[bis(methylsulfanyl)methyl]-4-cyano-2-oxidanyl-2,5-diphenyl-cyclopent-3-ene-1-carboxylate Openeye Name: methyl (1R,2S,5S)-3-[bis(methylsulfanyl)methyl]-4-cyano-2-hydroxy-2,5-diphenyl-cyclopent-3-ene-1-carboxylate CAS Name: (1R,2S,5S)-3-[bis(methylthio)methyl]-4-cyano-2-hydroxy-2,5-diphenyl-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,5S)-3-[bis(methylsulfanyl)methyl]-4-cyano-2-hydroxy-2,5-diphenylcyclopent-3-ene-1-carboxylate Traditional Name: (1R,2S,5S)-3-[bis(methylthio)methyl]-4-cyano-2-hydroxy-2,5-diphenyl-cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C23H23NO3S2 MolecularWeight: 425.56362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(C1(C2=CC=CC=C2)O)C(SC)SC)C#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1[C@H](C(=C([C@]1(C2=CC=CC=C2)O)C(SC)SC)C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO3S2/c1-27-21(25)20-18(15-10-6-4-7-11-15)17(14-24)19(22(28-2)29-3)23(20,26)16-12-8-5-9-13-16/h4-13,18,20,22,26H,1-3H3/t18-,20-,23-/m0/s1