dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C(C)SC#N)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C(C)SC#N)C(=O)OC

InChI

InChI=1S/C14H18N2O4S/c1-7-10(13(17)19-4)12(9(3)21-6-15)11(8(2)16-7)14(18)20-5/h9,12,16H,1-5H3