[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O4S/c1-14-15(2)29-20(22-14)23-18(26)13-28-19(27)21(17-7-5-4-6-8-17)9-11-24(12-10-21)16(3)25/h4-8H,9-13H2,1-3H3,(H,22,23,26)