ethyl 4-[2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(4-fluorophenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(4-fluorophenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O3S/c1-2-27-19(26)14-3-7-16(8-4-14)23-18(25)13-28-20-22-11-12-24(20)17-9-5-15(21)6-10-17/h3-12H,2,13H2,1H3,(H,23,25)