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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3C#N

InChI

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