methyl 6-(4-imidazol-1-ylphenyl)-4-methylsulfanyl-2-oxidanylidene-pyran-3-carboxylate

Systemtic Name: methyl 6-(4-imidazol-1-ylphenyl)-4-methylsulfanyl-2-oxidanylidene-pyran-3-carboxylate Openeye Name: methyl 6-(4-imidazol-1-ylphenyl)-4-methylsulfanyl-2-oxo-pyran-3-carboxylate CAS Name: 6-[4-(1-imidazolyl)phenyl]-4-(methylthio)-2-oxo-3-pyrancarboxylic acid methyl ester IUPAC Name: methyl 6-(4-imidazol-1-ylphenyl)-4-methylsulfanyl-2-oxopyran-3-carboxylate Traditional Name: 6-(4-imidazol-1-ylphenyl)-2-keto-4-(methylthio)pyran-3-carboxylic acid methyl ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(OC1=O)C2=CC=C(C=C2)N3C=CN=C3)SC

Isomeric SMILES

COC(=O)C1=C(C=C(OC1=O)C2=CC=C(C=C2)N3C=CN=C3)SC

InChI

InChI=1S/C17H14N2O4S/c1-22-16(20)15-14(24-2)9-13(23-17(15)21)11-3-5-12(6-4-11)19-8-7-18-10-19/h3-10H,1-2H3