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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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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=CC=C4)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c1-27-16-8-9-17-14(10-20(25)29-19(17)11-16)13-28-21(26)18-12-23-22(30-2)24(18)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3