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

Systemtic Name: methyl 2-[(E)-1-(2-methylphenyl)sulfanyloct-2-enyl]-5-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl 2-[(E)-1-(o-tolylsulfanyl)oct-2-enyl]-5-oxo-cyclopentanecarboxylate CAS Name: 2-[(E)-1-[(2-methylphenyl)thio]oct-2-enyl]-5-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-1-(2-methylphenyl)sulfanyloct-2-enyl]-5-oxocyclopentane-1-carboxylate Traditional Name: 2-keto-5-[(E)-1-(o-tolylthio)oct-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C22H30O3S MolecularWeight: 374.5368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1CCC(=O)C1C(=O)OC)SC2=CC=CC=C2C

Isomeric SMILES

CCCCC/C=C/C(C1CCC(=O)C1C(=O)OC)SC2=CC=CC=C2C

InChI

InChI=1S/C22H30O3S/c1-4-5-6-7-8-13-20(26-19-12-10-9-11-16(19)2)17-14-15-18(23)21(17)22(24)25-3/h8-13,17,20-21H,4-7,14-15H2,1-3H3/b13-8+