(5-ethanoyl-2-methoxy-phenyl)methyl 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CSC2=NC=CN2C3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CSC2=NC=CN2C3=CC(=CC=C3)F

InChI

InChI=1S/C21H19FN2O4S/c1-14(25)15-6-7-19(27-2)16(10-15)12-28-20(26)13-29-21-23-8-9-24(21)18-5-3-4-17(22)11-18/h3-11H,12-13H2,1-2H3