methyl 2-[(1R)-1-(4-fluorophenyl)-3-oxidanylidene-3-pyridin-3-yl-propyl]sulfanylbenzoate

Systemtic Name: methyl 2-[(1R)-1-(4-fluorophenyl)-3-oxidanylidene-3-pyridin-3-yl-propyl]sulfanylbenzoate Openeye Name: methyl 2-[(1R)-1-(4-fluorophenyl)-3-oxo-3-(3-pyridyl)propyl]sulfanylbenzoate CAS Name: 2-[[(1R)-1-(4-fluorophenyl)-3-oxo-3-(3-pyridinyl)propyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(1R)-1-(4-fluorophenyl)-3-oxo-3-pyridin-3-ylpropyl]sulfanylbenzoate Traditional Name: 2-[[(1R)-1-(4-fluorophenyl)-3-keto-3-(3-pyridyl)propyl]thio]benzoic acid methyl ester Formula: C22H18FNO3S MolecularWeight: 395.446623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC(CC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S[C@H](CC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FNO3S/c1-27-22(26)18-6-2-3-7-20(18)28-21(15-8-10-17(23)11-9-15)13-19(25)16-5-4-12-24-14-16/h2-12,14,21H,13H2,1H3/t21-/m1/s1