[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-methyl-2-phenyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-phenyl-5-thiazolecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-phenyl-thiazole-5-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H25NO3S/c1-14-20(28-21(24-14)18-5-3-2-4-6-18)22(26)27-13-19(25)23-10-15-7-16(11-23)9-17(8-15)12-23/h2-6,15-17H,7-13H2,1H3