[(3S)-2-oxidanylideneoxolan-3-yl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C21H18O5S MolecularWeight: 382.42962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H18O5S/c22-20-18(10-11-24-20)26-21(23)19-16(15-8-4-5-9-17(15)25-19)13-27-12-14-6-2-1-3-7-14/h1-9,18H,10-13H2/t18-/m0/s1