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

Systemtic Name: methyl 4-[2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O3S/c1-27-19(26)15-4-8-17(9-5-15)23-18(25)13-28-20-22-10-11-24(20)12-14-2-6-16(21)7-3-14/h2-11H,12-13H2,1H3,(H,23,25)