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

Systemtic Name: (4-cyanophenyl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: (4-cyanophenyl)methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (4-cyanobenzyl) ester Formula: C19H17NO2S2 MolecularWeight: 355.47378

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17NO2S2/c20-12-14-2-4-15(5-3-14)13-22-18(21)16-6-8-17(9-7-16)19-23-10-1-11-24-19/h2-9,19H,1,10-11,13H2