[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(4-methoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-thiazolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)thiazole-4-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26N2O4S/c1-28-18-4-2-17(3-5-18)21-24-19(13-30-21)22(27)29-12-20(26)25-23-9-14-6-15(10-23)8-16(7-14)11-23/h2-5,13-16H,6-12H2,1H3,(H,25,26)