(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic 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=CC(=NC(=C3C#N)SC)C4CC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

InChI

InChI=1S/C22H18N2O5S/c1-27-14-5-6-15-13(7-20(25)29-19(15)8-14)11-28-22(26)16-9-18(12-3-4-12)24-21(30-2)17(16)10-23/h5-9,12H,3-4,11H2,1-2H3