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

Systemtic Name: ethyl 5-cyano-6-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-keto-7-methoxy-chromen-4-yl)methylthio]-2-methyl-nicotinic acid ethyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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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(=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C

InChI

InChI=1S/C21H18N2O5S/c1-4-27-21(25)17-7-13(10-22)20(23-12(17)2)29-11-14-8-19(24)28-18-9-15(26-3)5-6-16(14)18/h5-9H,4,11H2,1-3H3