[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl adamantane-1-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl adamantane-1-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

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