ethyl (2R,3S,4S,5R)-5-(4-chlorophenyl)-4-cyano-3-oxidanyl-3-phenyl-thiolane-2-carboxylate

Systemtic Name: ethyl (2R,3S,4S,5R)-5-(4-chlorophenyl)-4-cyano-3-oxidanyl-3-phenyl-thiolane-2-carboxylate Openeye Name: ethyl (2R,3S,4S,5R)-5-(4-chlorophenyl)-4-cyano-3-hydroxy-3-phenyl-tetrahydrothiophene-2-carboxylate CAS Name: (2R,3S,4S,5R)-5-(4-chlorophenyl)-4-cyano-3-hydroxy-3-phenyl-2-thiolanecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S,4S,5R)-5-(4-chlorophenyl)-4-cyano-3-hydroxy-3-phenylthiolane-2-carboxylate Traditional Name: (2R,3S,4S,5R)-5-(4-chlorophenyl)-4-cyano-3-hydroxy-3-phenyl-tetrahydrothiophene-2-carboxylic acid ethyl ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(S1)C2=CC=C(C=C2)Cl)C#N)(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)[C@H]1[C@]([C@@H]([C@@H](S1)C2=CC=C(C=C2)Cl)C#N)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H18ClNO3S/c1-2-25-19(23)18-20(24,14-6-4-3-5-7-14)16(12-22)17(26-18)13-8-10-15(21)11-9-13/h3-11,16-18,24H,2H2,1H3/t16-,17+,18+,20-/m1/s1