methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-propanoylpiperidin-3-yl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-propanoylpiperidin-3-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-propanoyl-3-piperidyl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-(4-fluorophenyl)-4-[(3S)-1-(1-oxopropyl)-3-piperidinyl]-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-propanoylpiperidin-3-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(4-fluorophenyl)-4-[(3S)-1-propionyl-3-piperidyl]pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C21H24FN3O3S MolecularWeight: 417.496963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCC(C1)C2=NC(=NC=C2C3=CC=C(C=C3)F)SCC(=O)OC

Isomeric SMILES

CCC(=O)N1CCC[C@@H](C1)C2=NC(=NC=C2C3=CC=C(C=C3)F)SCC(=O)OC

InChI

InChI=1S/C21H24FN3O3S/c1-3-18(26)25-10-4-5-15(12-25)20-17(14-6-8-16(22)9-7-14)11-23-21(24-20)29-13-19(27)28-2/h6-9,11,15H,3-5,10,12-13H2,1-2H3/t15-/m0/s1