(3-cyanophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (3-cyanophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (3-cyanophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-cyanobenzyl) ester Formula: C18H15NO2S2 MolecularWeight: 341.4472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H15NO2S2/c19-11-13-2-1-3-14(10-13)12-21-17(20)15-4-6-16(7-5-15)18-22-8-9-23-18/h1-7,10,18H,8-9,12H2