7-[3-(cyclopentylmethylcarbamothioyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid

Systemtic Name: 7-[3-(cyclopentylmethylcarbamothioyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(cyclopentylmethylcarbamothioyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[[(cyclopentylmethylamino)-sulfanylidenemethoxy]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(cyclopentylmethylcarbamothioyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-(cyclopentylmethylthiocarbamoyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CNC(=S)OCC2C3CCC(C2CCCCCCC(=O)O)O3

Isomeric SMILES

C1CCC(C1)CNC(=S)OCC2C3CCC(C2CCCCCCC(=O)O)O3

InChI

InChI=1S/C21H35NO4S/c23-20(24)10-4-2-1-3-9-16-17(19-12-11-18(16)26-19)14-25-21(27)22-13-15-7-5-6-8-15/h15-19H,1-14H2,(H,22,27)(H,23,24)