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

Systemtic Name: dimethyl 1-(1-adamantyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantyl)-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantyl)-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27NO4S/c1-27-21(25)17-12-24(23-9-14-6-15(10-23)8-16(7-14)11-23)13-18(22(26)28-2)20(17)19-4-3-5-29-19/h3-5,12-16,20H,6-11H2,1-2H3