ethyl 5-cyano-6-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-2-methyl-nicotinic acid ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C

InChI

InChI=1S/C22H20N2O4S/c1-5-27-22(26)18-8-15(10-23)21(24-14(18)4)29-11-16-9-19(25)28-20-13(3)12(2)6-7-17(16)20/h6-9H,5,11H2,1-4H3