(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H17FN2O5S MolecularWeight: 440.444183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN=C(N3C4=CC=C(C=C4)F)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN=C(N3C4=CC=C(C=C4)F)SC

InChI

InChI=1S/C22H17FN2O5S/c1-28-16-7-8-17-13(9-20(26)30-19(17)10-16)12-29-21(27)18-11-24-22(31-2)25(18)15-5-3-14(23)4-6-15/h3-11H,12H2,1-2H3