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

Systemtic Name: ethyl (3S)-1-[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C23H27N5O3S MolecularWeight: 453.55718

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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)C

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)C

InChI

InChI=1S/C23H27N5O3S/c1-5-31-22(30)17-7-6-10-27(13-17)21(29)19-12-25-28(15(19)3)23-24-9-8-20(26-23)18-11-14(2)32-16(18)4/h8-9,11-12,17H,5-7,10,13H2,1-4H3/t17-/m0/s1