ethyl 5-cyano-6-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-2-methyl-nicotinic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=C(C=C3C#N)C(=O)OCC)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=C(C=C3C#N)C(=O)OCC)C)O

InChI

InChI=1S/C22H20N2O5S/c1-4-13-6-17-15(8-20(26)29-19(17)9-18(13)25)11-30-21-14(10-23)7-16(12(3)24-21)22(27)28-5-2/h6-9,25H,4-5,11H2,1-3H3