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

Systemtic Name: dimethyl 1-(1-adamantylmethyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantylmethyl)-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantylmethyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantylmethyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantylmethyl)-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OC)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OC)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29NO4S/c1-28-22(26)18-12-25(13-19(23(27)29-2)21(18)20-4-3-5-30-20)14-24-9-15-6-16(10-24)8-17(7-15)11-24/h3-5,12-13,15-17,21H,6-11,14H2,1-2H3