ethyl 1-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(2,4-dimethylphenoxy)methyl]thiazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[(2,4-dimethylphenoxy)methyl]-4-thiazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(2,4-dimethylphenoxy)methyl]thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)COC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)COC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H26N2O4S/c1-4-26-21(25)16-6-5-9-23(11-16)20(24)17-13-28-19(22-17)12-27-18-8-7-14(2)10-15(18)3/h7-8,10,13,16H,4-6,9,11-12H2,1-3H3