ethyl 1-(2-phenyl-4-thiomorpholin-4-yl-pyrimidin-5-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-phenyl-4-thiomorpholin-4-yl-pyrimidin-5-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(2-phenyl-4-thiomorpholino-pyrimidine-5-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-(2-phenyl-4-thiomorpholin-4-yl-5-pyrimidinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(2-phenyl-4-thiomorpholino-pyrimidine-5-carbonyl)nipecotic acid ethyl ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN=C(N=C2N3CCSCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN=C(N=C2N3CCSCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3S/c1-2-30-23(29)18-9-6-10-27(16-18)22(28)19-15-24-20(17-7-4-3-5-8-17)25-21(19)26-11-13-31-14-12-26/h3-5,7-8,15,18H,2,6,9-14,16H2,1H3