[2-(cyanomethyl)-4-(phenylcarbonyloxy)thiolan-3-yl]methyl benzoate

Systemtic Name: [2-(cyanomethyl)-4-(phenylcarbonyloxy)thiolan-3-yl]methyl benzoate Openeye Name: [4-benzoyloxy-2-(cyanomethyl)tetrahydrothiophen-3-yl]methyl benzoate CAS Name: benzoic acid [4-benzoyloxy-2-(cyanomethyl)-3-thiolanyl]methyl ester IUPAC Name: [4-benzoyloxy-2-(cyanomethyl)thiolan-3-yl]methyl benzoate Traditional Name: benzoic acid [4-benzoyloxy-2-(cyanomethyl)tetrahydrothiophen-3-yl]methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(S1)CC#N)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(C(C(S1)CC#N)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S/c22-12-11-19-17(13-25-20(23)15-7-3-1-4-8-15)18(14-27-19)26-21(24)16-9-5-2-6-10-16/h1-10,17-19H,11,13-14H2