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

Systemtic Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[2-(1-adamantyloxy)ethyl]-4-(3-thiophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[2-(1-adamantyloxy)ethyl]-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CSC=C2)C(=O)OC)CCOC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CSC=C2)C(=O)OC)CCOC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31NO5S/c1-29-23(27)20-13-26(14-21(24(28)30-2)22(20)19-3-6-32-15-19)4-5-31-25-10-16-7-17(11-25)9-18(8-16)12-25/h3,6,13-18,22H,4-5,7-12H2,1-2H3