ethyl 2-oxidanylidene-5-[(E)-1-(phenylsulfinyl)oct-2-enyl]cyclopentane-1-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-5-[(E)-1-(phenylsulfinyl)oct-2-enyl]cyclopentane-1-carboxylate Openeye Name: ethyl 2-[(E)-1-(benzenesulfinyl)oct-2-enyl]-5-oxo-cyclopentanecarboxylate CAS Name: 2-[(E)-1-(benzenesulfinyl)oct-2-enyl]-5-oxo-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-1-(benzenesulfinyl)oct-2-enyl]-5-oxocyclopentane-1-carboxylate Traditional Name: 2-[(E)-1-(benzenesulfinyl)oct-2-enyl]-5-keto-cyclopentanecarboxylic acid ethyl ester Formula: C22H30O4S MolecularWeight: 390.5362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1CCC(=O)C1C(=O)OCC)S(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/C(C1CCC(=O)C1C(=O)OCC)S(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H30O4S/c1-3-5-6-7-11-14-20(27(25)17-12-9-8-10-13-17)18-15-16-19(23)21(18)22(24)26-4-2/h8-14,18,20-21H,3-7,15-16H2,1-2H3/b14-11+