ethyl (3S)-1-[5-methyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[5-methyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-methyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=NC=C(C(=N3)C4=CC=CS4)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(N(N=C2)C3=NC=C(C(=N3)C4=CC=CS4)C)C

InChI

InChI=1S/C22H25N5O3S/c1-4-30-21(29)16-7-5-9-26(13-16)20(28)17-12-24-27(15(17)3)22-23-11-14(2)19(25-22)18-8-6-10-31-18/h6,8,10-12,16H,4-5,7,9,13H2,1-3H3/t16-/m0/s1