octyl 2-cyano-5-(dimethylamino)-1,3-dithiane-2-carboxylate

Systemtic Name: octyl 2-cyano-5-(dimethylamino)-1,3-dithiane-2-carboxylate Openeye Name: octyl 2-cyano-5-(dimethylamino)-1,3-dithiane-2-carboxylate CAS Name: 2-cyano-5-(dimethylamino)-1,3-dithiane-2-carboxylic acid octyl ester IUPAC Name: octyl 2-cyano-5-(dimethylamino)-1,3-dithiane-2-carboxylate Traditional Name: 2-cyano-5-(dimethylamino)-1,3-dithiane-2-carboxylic acid octyl ester Formula: C16H28N2O2S2 MolecularWeight: 344.53572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1(SCC(CS1)N(C)C)C#N

Isomeric SMILES

CCCCCCCCOC(=O)C1(SCC(CS1)N(C)C)C#N

InChI

InChI=1S/C16H28N2O2S2/c1-4-5-6-7-8-9-10-20-15(19)16(13-17)21-11-14(12-22-16)18(2)3/h14H,4-12H2,1-3H3