1-adamantylmethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 1-adamantylmethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 1-adamantylmethyl 2-(4-chlorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-chlorophenyl)-4-methyl-5-thiazolecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid 1-adamantylmethyl ester Formula: C22H24ClNO2S MolecularWeight: 401.94946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)OCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)OCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24ClNO2S/c1-13-19(27-20(24-13)17-2-4-18(23)5-3-17)21(25)26-12-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-12H2,1H3