ethyl 2-[4-[2-oxidanylidene-5-(3-oxidanyloct-4-ynyl)cyclopentyl]butylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[4-[2-oxidanylidene-5-(3-oxidanyloct-4-ynyl)cyclopentyl]butylsulfanyl]ethanoate Openeye Name: ethyl 2-[4-[2-(3-hydroxyoct-4-ynyl)-5-oxo-cyclopentyl]butylsulfanyl]acetate CAS Name: 2-[4-[2-(3-hydroxyoct-4-ynyl)-5-oxocyclopentyl]butylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(3-hydroxyoct-4-ynyl)-5-oxocyclopentyl]butylsulfanyl]acetate Traditional Name: 2-[4-[2-(3-hydroxyoct-4-ynyl)-5-keto-cyclopentyl]butylthio]acetic acid ethyl ester Formula: C21H34O4S MolecularWeight: 382.55726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(CCC1CCC(=O)C1CCCCSCC(=O)OCC)O

Isomeric SMILES

CCCC#CC(CCC1CCC(=O)C1CCCCSCC(=O)OCC)O

InChI

InChI=1S/C21H34O4S/c1-3-5-6-9-18(22)13-11-17-12-14-20(23)19(17)10-7-8-15-26-16-21(24)25-4-2/h17-19,22H,3-5,7-8,10-16H2,1-2H3