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

Systemtic Name: ethyl (1R,2S)-3-[bis(methylsulfanyl)methyl]-4-cyano-2-oxidanyl-2-phenyl-cyclopent-3-ene-1-carboxylate Openeye Name: ethyl (1R,2S)-3-[bis(methylsulfanyl)methyl]-4-cyano-2-hydroxy-2-phenyl-cyclopent-3-ene-1-carboxylate CAS Name: (1R,2S)-3-[bis(methylthio)methyl]-4-cyano-2-hydroxy-2-phenyl-1-cyclopent-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-3-[bis(methylsulfanyl)methyl]-4-cyano-2-hydroxy-2-phenylcyclopent-3-ene-1-carboxylate Traditional Name: (1R,2S)-3-[bis(methylthio)methyl]-4-cyano-2-hydroxy-2-phenyl-cyclopent-3-ene-1-carboxylic acid ethyl ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=C(C1(C2=CC=CC=C2)O)C(SC)SC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S2/c1-4-22-16(20)14-10-12(11-19)15(17(23-2)24-3)18(14,21)13-8-6-5-7-9-13/h5-9,14,17,21H,4,10H2,1-3H3/t14-,18+/m0/s1