dimethyl 1-(1-adamantyl)-4-(5-chloranylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1-adamantyl)-4-(5-chloranylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantyl)-4-(5-chloro-2-thienyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantyl)-4-(5-chloro-2-thiophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantyl)-4-(5-chlorothiophen-2-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantyl)-4-(5-chloro-2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H26ClNO4S MolecularWeight: 447.97484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=C(S2)Cl)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=C(S2)Cl)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26ClNO4S/c1-28-21(26)16-11-25(23-8-13-5-14(9-23)7-15(6-13)10-23)12-17(22(27)29-2)20(16)18-3-4-19(24)30-18/h3-4,11-15,20H,5-10H2,1-2H3