ethyl 4-[[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[[4-(2,4-dimethylbenzoyl)-1-piperidyl]methyl]thiazole-2-carboxylate CAS Name: 4-[[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]methyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2,4-dimethylbenzoyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[[4-(2,4-dimethylbenzoyl)piperidino]methyl]thiazole-2-carboxylic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)CN2CCC(CC2)C(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)CN2CCC(CC2)C(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H26N2O3S/c1-4-26-21(25)20-22-17(13-27-20)12-23-9-7-16(8-10-23)19(24)18-6-5-14(2)11-15(18)3/h5-6,11,13,16H,4,7-10,12H2,1-3H3