(4-cyanophenyl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]acetate CAS Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]acetate Traditional Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid (4-cyanobenzyl) ester Formula: C20H19NO3S2 MolecularWeight: 385.49976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3S2/c21-12-15-2-4-16(5-3-15)13-24-19(22)14-23-18-8-6-17(7-9-18)20-25-10-1-11-26-20/h2-9,20H,1,10-11,13-14H2