methyl 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C18H20FN3O3S MolecularWeight: 377.433103

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)F

InChI

InChI=1S/C18H20FN3O3S/c1-25-17(24)13-5-8-21(9-6-13)16(23)12-26-18-20-7-10-22(18)15-4-2-3-14(19)11-15/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3