ethyl 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-(1-adamantylcarbamoyl)-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[(1-adamantylamino)-oxomethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-(1-adamantylcarbamoyl)-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N3O3S/c1-2-28-20(26)18-13-29-19(23-18)17-3-5-25(6-4-17)21(27)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h13-17H,2-12H2,1H3,(H,24,27)