[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H22FN3O5S MolecularWeight: 459.490583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)C

InChI

InChI=1S/C22H22FN3O5S/c1-5-30-21(29)19-12(2)18(13(3)25-19)17(27)11-31-20(28)16-10-24-22(32-4)26(16)15-8-6-14(23)7-9-15/h6-10,25H,5,11H2,1-4H3