(3R)-1-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate

Systemtic Name: (3R)-1-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Openeye Name: (3R)-1-[4-(5-methyl-2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate CAS Name: (3R)-1-[4-(5-methyl-2-thiophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3R)-1-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Traditional Name: (3R)-1-[4-(5-methyl-2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]nipecotate Formula: C16H15F3N3O2S- MolecularWeight: 370.36941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(=NC(=N2)N3CCCC(C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(S1)C2=CC(=NC(=N2)N3CCC[C@H](C3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H16F3N3O2S/c1-9-4-5-12(25-9)11-7-13(16(17,18)19)21-15(20-11)22-6-2-3-10(8-22)14(23)24/h4-5,7,10H,2-3,6,8H2,1H3,(H,23,24)/p-1/t10-/m1/s1