[(2R,3R,4S)-3,4-bis(phenylcarbonyloxy)-5-pyridin-2-ylsulfanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S)-3,4-bis(phenylcarbonyloxy)-5-pyridin-2-ylsulfanyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S)-3,4-dibenzoyloxy-5-(2-pyridylsulfanyl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S)-3,4-dibenzoyloxy-5-(2-pyridinylthio)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S)-3,4-dibenzoyloxy-5-pyridin-2-ylsulfanyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S)-3,4-dibenzoyloxy-5-(2-pyridylthio)tetrahydrofuran-2-yl]methyl ester Formula: C31H25NO7S MolecularWeight: 555.5977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)SC3=CC=CC=N3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H](C(O2)SC3=CC=CC=N3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H25NO7S/c33-28(21-12-4-1-5-13-21)36-20-24-26(38-29(34)22-14-6-2-7-15-22)27(39-30(35)23-16-8-3-9-17-23)31(37-24)40-25-18-10-11-19-32-25/h1-19,24,26-27,31H,20H2/t24-,26-,27+,31?/m1/s1