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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(4-ethylphenyl)thiazole-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-thiazolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-ethylphenyl)thiazole-4-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O3S/c1-2-15-3-5-19(6-4-15)22-25-20(14-30-22)23(28)29-13-21(27)26-24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,14,16-18H,2,7-13H2,1H3,(H,26,27)