methyl 3-(1-ethoxyethoxy)-5-oxidanylidene-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate

Systemtic Name: methyl 3-(1-ethoxyethoxy)-5-oxidanylidene-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate Openeye Name: methyl 3-(1-ethoxyethoxy)-5-oxo-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentanecarboxylate CAS Name: 3-(1-ethoxyethoxy)-5-oxo-2-[(E)-1-(phenylthio)oct-2-enyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-ethoxyethoxy)-5-oxo-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate Traditional Name: 3-(1-ethoxyethoxy)-5-keto-2-[(E)-1-(phenylthio)oct-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C25H36O5S MolecularWeight: 448.61534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1C(CC(=O)C1C(=O)OC)OC(C)OCC)SC2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/C(C1C(CC(=O)C1C(=O)OC)OC(C)OCC)SC2=CC=CC=C2

InChI

InChI=1S/C25H36O5S/c1-5-7-8-9-13-16-22(31-19-14-11-10-12-15-19)24-21(30-18(3)29-6-2)17-20(26)23(24)25(27)28-4/h10-16,18,21-24H,5-9,17H2,1-4H3/b16-13+