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

Systemtic Name: dimethyl 1-(1-adamantyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantyl)-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantyl)-4-(3-thiophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantyl)-4-(3-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=CSC=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CSC=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

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