(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC3=CC(=O)N4C=CSC4=N3

Isomeric SMILES

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC3=CC(=O)N4C=CSC4=N3

InChI

InChI=1S/C21H21N3O4S/c1-15(25)23-9-7-21(8-10-23,16-5-3-2-4-6-16)19(27)28-14-17-13-18(26)24-11-12-29-20(24)22-17/h2-6,11-13H,7-10,14H2,1H3