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

Systemtic Name: ethyl 3-[(2-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-4-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2-methylsulfanylthiazole-4-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 3-[(2-methylphenyl)methyl]-1-[[2-(methylthio)-4-thiazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylphenyl)methyl]-1-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(2-methylbenzyl)-1-[2-(methylthio)thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-4-26-19(25)21(12-16-9-6-5-8-15(16)2)10-7-11-23(14-21)18(24)17-13-28-20(22-17)27-3/h5-6,8-9,13H,4,7,10-12,14H2,1-3H3