methyl 2-[(E)-4-methyl-1-phenylsulfanyl-oct-2-enyl]-5-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl 2-[(E)-4-methyl-1-phenylsulfanyl-oct-2-enyl]-5-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl 2-[(E)-4-methyl-1-phenylsulfanyl-oct-2-enyl]-5-oxo-cyclopentanecarboxylate CAS Name: 2-[(E)-4-methyl-1-(phenylthio)oct-2-enyl]-5-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-4-methyl-1-phenylsulfanyloct-2-enyl]-5-oxocyclopentane-1-carboxylate Traditional Name: 2-keto-5-[(E)-4-methyl-1-(phenylthio)oct-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C22H30O3S MolecularWeight: 374.5368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C=CC(C1CCC(=O)C1C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCCCC(C)/C=C/C(C1CCC(=O)C1C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C22H30O3S/c1-4-5-9-16(2)12-15-20(26-17-10-7-6-8-11-17)18-13-14-19(23)21(18)22(24)25-3/h6-8,10-12,15-16,18,20-21H,4-5,9,13-14H2,1-3H3/b15-12+