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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H15FN2O4S MolecularWeight: 410.418203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CN=C(N3C4=CC=C(C=C4)F)SC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CN=C(N3C4=CC=C(C=C4)F)SC

InChI

InChI=1S/C21H15FN2O4S/c1-12-9-19(25)28-18-10-15(7-8-16(12)18)27-20(26)17-11-23-21(29-2)24(17)14-5-3-13(22)4-6-14/h3-11H,1-2H3