(2-benzamido-2-oxidanylidene-ethyl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H16FN3O4S/c1-29-20-22-11-16(24(20)15-9-7-14(21)8-10-15)19(27)28-12-17(25)23-18(26)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,25,26)