[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C23H23FN4O3S MolecularWeight: 454.517123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)C4=NC=CC=N4

InChI

InChI=1S/C23H23FN4O3S/c24-17-9-7-16(8-10-17)21(19-6-3-14-32-19)27-20(29)15-31-22(30)18-5-1-2-13-28(18)23-25-11-4-12-26-23/h3-4,6-12,14,18,21H,1-2,5,13,15H2,(H,27,29)