S-[[(3R,5R)-2-oxidanylidene-5-[2-(phenylcarbonylsulfanyl)propan-2-yl]oxolan-3-yl]methyl] benzenecarbothioate

Systemtic Name: S-[[(3R,5R)-2-oxidanylidene-5-[2-(phenylcarbonylsulfanyl)propan-2-yl]oxolan-3-yl]methyl] benzenecarbothioate Openeye Name: S-[[(3R,5R)-5-(1-benzoylsulfanyl-1-methyl-ethyl)-2-oxo-tetrahydrofuran-3-yl]methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[(3R,5R)-5-[2-(benzoylthio)propan-2-yl]-2-oxo-3-oxolanyl]methyl] ester IUPAC Name: S-[[(3R,5R)-5-(2-benzoylsulfanylpropan-2-yl)-2-oxooxolan-3-yl]methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[(3R,5R)-5-[1-(benzoylthio)-1-methyl-ethyl]-2-keto-tetrahydrofuran-3-yl]methyl] ester Formula: C22H22O4S2 MolecularWeight: 414.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC(C(=O)O1)CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)([C@H]1C[C@H](C(=O)O1)CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22O4S2/c1-22(2,28-21(25)16-11-7-4-8-12-16)18-13-17(19(23)26-18)14-27-20(24)15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18+/m0/s1