cyanomethyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: cyanomethyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: cyanomethyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid cyanomethyl ester Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO2S2/c14-6-7-16-12(15)10-2-4-11(5-3-10)13-17-8-1-9-18-13/h2-5,13H,1,7-9H2