[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]acetic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC=CN2C3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC=CN2C3=CC(=CC=C3)F

InChI

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