(2-phenyl-1,3-thiazol-4-yl)methyl 3-bromanyladamantane-1-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-bromanyladamantane-1-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H22BrNO2S MolecularWeight: 432.37388

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H22BrNO2S/c22-21-9-14-6-15(10-21)8-20(7-14,13-21)19(24)25-11-17-12-26-18(23-17)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2