methyl 1-[[2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[2-(N-acetyl-2-ethylanilino)-4-thiazolyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methyl]isonipecotic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C2=NC(=CS2)CN3CCC(CC3)C(=O)OC)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C2=NC(=CS2)CN3CCC(CC3)C(=O)OC)C(=O)C

InChI

InChI=1S/C21H27N3O3S/c1-4-16-7-5-6-8-19(16)24(15(2)25)21-22-18(14-28-21)13-23-11-9-17(10-12-23)20(26)27-3/h5-8,14,17H,4,9-13H2,1-3H3