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

Systemtic Name: ethyl 4-[2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[(4-fluorophenyl)methyl]-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(4-fluorobenzyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3S/c1-2-28-20(27)16-5-9-18(10-6-16)24-19(26)14-29-21-23-11-12-25(21)13-15-3-7-17(22)8-4-15/h3-12H,2,13-14H2,1H3,(H,24,26)