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

Systemtic Name: dimethyl 1-(1-adamantylmethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantylmethyl)-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantylmethyl)-4-(3-thiophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantylmethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantylmethyl)-4-(3-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=CSC=C2)C(=O)OC)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CSC=C2)C(=O)OC)CC34CC5CC(C3)CC(C5)C4

InChI

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