ethyl 7-[2-[(E)-1-(2-methylphenyl)sulfanyloct-2-enyl]-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-[(E)-1-(2-methylphenyl)sulfanyloct-2-enyl]-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[(E)-1-(o-tolylsulfanyl)oct-2-enyl]-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(E)-1-[(2-methylphenyl)thio]oct-2-enyl]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[(E)-1-(2-methylphenyl)sulfanyloct-2-enyl]-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-keto-5-[(E)-1-(o-tolylthio)oct-2-enyl]cyclopentyl]enanthic acid ethyl ester Formula: C29H44O3S MolecularWeight: 472.72286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1CCC(=O)C1CCCCCCC(=O)OCC)SC2=CC=CC=C2C

Isomeric SMILES

CCCCC/C=C/C(C1CCC(=O)C1CCCCCCC(=O)OCC)SC2=CC=CC=C2C

InChI

InChI=1S/C29H44O3S/c1-4-6-7-8-12-19-28(33-27-18-15-14-16-23(27)3)25-21-22-26(30)24(25)17-11-9-10-13-20-29(31)32-5-2/h12,14-16,18-19,24-25,28H,4-11,13,17,20-22H2,1-3H3/b19-12+