ethyl (4E)-3-cyano-4-(phenylmethylidene)-3-(phenylsulfonyl)cyclopentane-1-carboxylate

Systemtic Name: ethyl (4E)-3-cyano-4-(phenylmethylidene)-3-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: ethyl (4E)-3-(benzenesulfonyl)-4-benzylidene-3-cyano-cyclopentanecarboxylate CAS Name: (4E)-3-(benzenesulfonyl)-3-cyano-4-(phenylmethylene)-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-3-(benzenesulfonyl)-4-benzylidene-3-cyanocyclopentane-1-carboxylate Traditional Name: (4E)-4-benzal-3-besyl-3-cyano-cyclopentanecarboxylic acid ethyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=CC2=CC=CC=C2)C(C1)(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C/C(=C\C2=CC=CC=C2)/C(C1)(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S/c1-2-27-21(24)18-14-19(13-17-9-5-3-6-10-17)22(15-18,16-23)28(25,26)20-11-7-4-8-12-20/h3-13,18H,2,14-15H2,1H3/b19-13+