ethyl (3S)-1-[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(SC(=C4)C)C)C5CC5

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(SC(=C4)C)C)C5CC5

InChI

InChI=1S/C25H29N5O3S/c1-4-33-24(32)18-6-5-11-29(14-18)23(31)20-13-27-30(22(20)17-7-8-17)25-26-10-9-21(28-25)19-12-15(2)34-16(19)3/h9-10,12-13,17-18H,4-8,11,14H2,1-3H3/t18-/m0/s1