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

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-4-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(2-methylsulfanylthiazole-4-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[[2-(methylthio)-4-thiazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-[2-(methylthio)thiazole-4-carbonyl]-4-p-anisyl-isonipecotic acid ethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CSC(=N2)SC)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CSC(=N2)SC)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S2/c1-4-27-19(25)21(13-15-5-7-16(26-2)8-6-15)9-11-23(12-10-21)18(24)17-14-29-20(22-17)28-3/h5-8,14H,4,9-13H2,1-3H3