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

Systemtic Name: 7-[3-(phenylcarbamothioyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(phenylcarbamothioyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[[anilino(sulfanylidene)methoxy]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(phenylcarbamothioyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-(phenylthiocarbamoyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CCCCCCC(=O)O)COC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1O2)CCCCCCC(=O)O)COC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H29NO4S/c23-20(24)11-7-2-1-6-10-16-17(19-13-12-18(16)26-19)14-25-21(27)22-15-8-4-3-5-9-15/h3-5,8-9,16-19H,1-2,6-7,10-14H2,(H,22,27)(H,23,24)