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

Systemtic Name: ethyl 3-[(2-methylphenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2-methylthiazole-4-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 3-[(2-methylphenyl)methyl]-1-[(2-methyl-4-thiazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylphenyl)methyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(2-methylbenzyl)-1-(2-methylthiazole-4-carbonyl)nipecotic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CSC(=N2)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CSC(=N2)C)CC3=CC=CC=C3C

InChI

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