methyl 2-[(E)-1-(4-methylphenyl)sulfinyloct-2-enyl]-5-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl 2-[(E)-1-(4-methylphenyl)sulfinyloct-2-enyl]-5-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl 2-oxo-5-[(E)-1-(p-tolylsulfinyl)oct-2-enyl]cyclopentanecarboxylate CAS Name: 2-[(E)-1-(4-methylphenyl)sulfinyloct-2-enyl]-5-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-1-(4-methylphenyl)sulfinyloct-2-enyl]-5-oxocyclopentane-1-carboxylate Traditional Name: 2-keto-5-[(E)-1-(p-tolylsulfinyl)oct-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C22H30O4S MolecularWeight: 390.5362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1CCC(=O)C1C(=O)OC)S(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30O4S/c1-4-5-6-7-8-9-20(27(25)17-12-10-16(2)11-13-17)18-14-15-19(23)21(18)22(24)26-3/h8-13,18,20-21H,4-7,14-15H2,1-3H3/b9-8+