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

Systemtic Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[2-(1-adamantyl)ethyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[2-(1-adamantyl)ethyl]-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OC)CCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OC)CCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31NO4S/c1-29-23(27)19-14-26(15-20(24(28)30-2)22(19)21-4-3-7-31-21)6-5-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-4,7,14-18,22H,5-6,8-13H2,1-2H3